HSPB2_MOUSE Loading...

Heat shock protein beta-2

May regulate the kinase DMPK.

AlphaFold DB , UniProt , Accession Q99PR8, Species MOUSE (Mus musculus, Mouse), Gene Hspb2, Length 182 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.5Very low39.8Very low240 Ų240133 Ų133100%1.18275%0.752SS**  0106.50-69.8-76.9-167.600106.4G3M1-G3 PolarHBondContact O-N 3.45Å
2S41.8Very low39.9Very low119 Ų119130 Ų13083%0.83276%0.756SS**  trans-51.7128.7-175.719.30000111.3R4S2-R4 PolarHBondContact O-N 3.17Å
3G43.7Very low40Very low70 Ų70125.9 Ų125.972%0.72273%0.734SS**  trans-57.2110.3178.800000110.3M1 T5M1-G3 PolarHBondContact O-N 3.45Å; G3-T5 PolarHBondContact O-N 3.23Å
4R41.3Very low40.6Very low242 Ų242121.9 Ų121.991%0.91372%0.723SS**  trans-7286162.5-75.6179168.6-179.4-4.8106.5S2 V6S2-R4 PolarHBondContact O-N 3.17Å; R4-V6 PolarHBondContact O-N 3.39Å; R4-V6 VanDerWaalsContact O-N 3.12Å
5T36.2Very low40.8Very low108 Ų108124.2 Ų124.266%0.66372%0.723SS**  trans-66.5110.1167.7-42.70000106.1G3G3-T5 PolarHBondContact O-N 3.23Å
6V39.3Very low41.3Very low114 Ų114125.3 Ų125.369%0.69171%0.713SS**  trans-55.3123.3169.3179.80000105.7R4 H8R4-V6 PolarHBondContact O-N 3.39Å; R4-V6 VanDerWaalsContact O-N 3.12Å; V6-H8 PolarHBondContact O-N 3.23Å
7P36.7Very low41.5Very low112 Ų112123.8 Ų123.873%0.72770%0.698SS**  trans-57.2113.1177.322.6-30.4000106.8A9P7-A9 PolarHBondContact O-N 3.01Å
8H38Very low41.7Very low145 Ų145126.7 Ų126.767%0.67170%0.703SS**  trans-52.2114.9167.6-52.2-71.7000104.9V6 H10V6-H8 PolarHBondContact O-N 3.23Å; H8-H10 VanDerWaalsContact C-N 3.29Å; H8-H10 PolarHBondContact O-N 3.04Å
9A42.3Very low42.2Very low85 Ų85123.8 Ų123.870%0.70270%0.697SS**  trans-58.898.4-17900000107.1P7 P11P7-A9 PolarHBondContact O-N 3.01Å; A9-P11 WeakPolarHBondContact O-CD 3.37Å
10H36.3Very low43Very low167 Ų167121.8 Ų121.877%0.77368%0.684SS**  trans-68.1111.8171.3-84.2-74.8000106.4H8 A12H8-H10 VanDerWaalsContact C-N 3.29Å; H8-H10 PolarHBondContact O-N 3.04Å; H10-A12 PolarHBondContact O-N 3.46Å
11P44.3Very low44Very low61 Ų61120.7 Ų120.740%0.39668%0.682SS.*  trans-91.584.1-172.732-22.7000108.6A9 L96A9-P11 WeakPolarHBondContact O-CD 3.37Å; P11-L96 HydrophobicContact CB-CD2 3.85Å; P11-L96 HydrophobicContact CG-CD1 3.98Å; P11-L96 HydrophobicContact CG-CD2 4.19Å
12A41.9Very low45.5Very low97 Ų97112.4 Ų112.480%0.80265%0.648SS**  trans-161.111.9170.900000115.8H10H10-A12 PolarHBondContact O-N 3.46Å
13T40.3Very low46.6Very low77 Ų77114.4 Ų114.447%0.47264%0.637SS.*  trans-98.8124.1170.854.70000109.8E15 Y16T13-E15 PolarHBondContact O-N 3.34Å; T13-Y16 PolarHBondContact O-N 3.03Å
14A48.4Very low47.7Very low69 Ų69114.1 Ų114.157%0.5762%0.619SS**THydrogen-bonded Turntrans-53.8-20.2172.800000112.5Y16 E17A14-Y16 PolarHBondContact O-N 3.02Å; A14-E17 WeakPolarHBondContact O-CB 3.36Å; A14-E17 PolarHBondContact O-N 3.27Å; A14-E17 VanDerWaalsContact O-N 3.09Å
15E43.7Very low48.6Very low157 Ų157106.3 Ų106.373%0.73461%0.613SS**Hα-helixtrans-55.1-31.6172.7-62.6-176.9166.200113.3T13T13-E15 PolarHBondContact O-N 3.34Å
16Y49.3Very low49.9Very low142 Ų142103.7 Ų103.756%0.55759%0.594SS**Hα-helixtrans-79.4-23.2178.1-107.7-86.8000113.8T13 A14 F18 A19T13-Y16 PolarHBondContact O-N 3.03Å; A14-Y16 PolarHBondContact O-N 3.02Å; Y16-F18 PolarHBondContact O-N 2.81Å; Y16-A19 PolarHBondContact O-N 3.48Å
17E44.5Very low51.4Low99 Ų9999.4 Ų99.446%0.46357%0.566SS.*Hα-helixtrans-61.1-28.7-178.7-160.5174.9-17200111.4A14A14-E17 WeakPolarHBondContact O-CB 3.36Å; A14-E17 PolarHBondContact O-N 3.27Å; A14-E17 VanDerWaalsContact O-N 3.09Å
18F46Very low53.1Low177 Ų17795.7 Ų95.778%0.77654%0.538SS*.Hα-helixtrans-104.4-13.6-175.7-61-75.7000115Y16Y16-F18 PolarHBondContact O-N 2.81Å
19A50.5Low54.8Low72 Ų7295 Ų9560%0.59553%0.533SS*.Hα-helixtrans-98.8-5.1-170.100000114.9Y16Y16-A19 PolarHBondContact O-N 3.48Å
20N57.2Low56.4Low82 Ų8293.4 Ų93.444%0.43952%0.524SS..SBendtrans-81121.9-176.7-75-24.8000111.2S22N20-S22 PolarHBondContact O-N 2.76Å
21P64.4Low58.4Low100 Ų10087.6 Ų87.665%0.64950%0.497SS*.  trans-60129174.925.1-32.5000109.3R23P21-R23 PolarHBondContact O-N 2.98Å
22S68.7Low59.8Low66 Ų6685.5 Ų85.546%0.46249%0.487SS..SBendtrans-62.2-25.6179.555.10000112N20 E66 L67N20-S22 PolarHBondContact O-N 2.76Å; S22-E66 CarbonylContact O-C 3.57Å; S22-E66 VanDerWaalsContact O-CA 3.28Å; S22-E66 WeakPolarHBondContact O-CA 3.42Å; S22-L67 WeakPolarHBondContact CB-O 3.27Å; S22-L67 PolarHBondContact O-N 2.85Å
23R66.3Low61.5Low160 Ų16085.5 Ų85.560%0.60447%0.473SS*.EExtended strand (participates in β ladder)trans-114.9134178.1-68-176.3-177.2170.61.4112.2P21 S65 E66P21-R23 PolarHBondContact O-N 2.98Å; R23-S65 VanDerWaalsContact CA-O 3.25Å; R23-S65 WeakPolarHBondContact CA-O 3.45Å; R23-E66 HydrophobicContact CG-CB 4.39Å; R23-E66 HydrophobicContact CG-CG 4.05Å; R23-E66 IonicContact CZ-OE1 3.27Å; R23-E66 VanDerWaalsContact CZ-OE1 3.31Å; R23-E66 IonicContact NE-OE1 3.97Å; R23-E66 PolarHBondContact NE-OE1 3.04Å; R23-E66 IonicContact NH2-OE1 2.75Å; R23-E66 PolarHBondContact NH2-OE1 2.81Å
24L66.7Low63.2Low65 Ų6585.8 Ų85.834%0.3447%0.472SS..EExtended strand (participates in β ladder)trans-98.3116.2165-173.666.9000108E26 Q27 S65L24-E26 VanDerWaalsContact C-N 3.34Å; L24-E26 PolarHBondContact O-N 3.23Å; L24-Q27 HydrophobicContact CD2-CG 3.73Å; L24-Q27 HydrophobicContact CG-CG 4.43Å; L24-S65 PolarHBondContact N-O 3Å; L24-S65 PolarHBondContact O-N 2.78Å
25G59.3Low64.7Low77 Ų7787.2 Ų87.279%0.79448%0.475SS*.  trans-77.7-9.9-169.700000115.8
26E63.9Low66.5Low54 Ų5486.3 Ų86.325%0.25247%0.471SS..  trans-153.1115.7-174.1-165.6-173.6152.100111.5L24 F29 R52L24-E26 VanDerWaalsContact C-N 3.34Å; L24-E26 PolarHBondContact O-N 3.23Å; E26-F29 WeakPolarHBondContact O-CZ 3.42Å; E26-R52 IonicContact OE1-CZ 3.73Å; E26-R52 IonicContact OE1-NE 2.84Å; E26-R52 PolarHBondContact OE1-NE 2.87Å; E26-R52 IonicContact OE1-NH2 3.2Å; E26-R52 PolarHBondContact OE1-NH2 2.87Å; E26-R52 IonicContact OE2-NE 2.65Å
27Q69.6Low67.7Low23 Ų2380.2 Ų80.211%0.10745%0.447CS..  trans-121.69.7173.3-74.9175.6105.200113.7L24 F29 G63 S65L24-Q27 HydrophobicContact CD2-CG 3.73Å; L24-Q27 HydrophobicContact CG-CG 4.43Å; Q27-F29 PolarHBondContact O-N 3.26Å; Q27-G63 PolarHBondContact NE2-O 2.81Å; Q27-S65 VanDerWaalsContact NE2-CB 3.33Å; Q27-S65 PolarHBondContact NE2-OG 3.26Å; Q27-S65 PolarHBondContact OE1-OG 2.97Å
28R72.5Confident69.2Low35 Ų3579.6 Ų79.613%0.13245%0.446CS..  trans-82.747.2-177.7-64179.4-179.7-1174.2112.8G30 E31 R52 R55 E58R28-G30 PolarHBondContact O-N 2.81Å; R28-E31 HydrophobicContact CB-CB 4.24Å; R28-E31 HydrophobicContact CB-CG 4.05Å; R28-E31 WeakPolarHBondContact CD-OE2 3.31Å; R28-E31 IonicContact NH1-OE1 2.62Å; R28-E31 IonicContact NH1-OE2 2.8Å; R28-E31 PolarHBondContact NH1-OE2 3.45Å; R28-E31 VanDerWaalsContact NH1-OE2 3.15Å; R28-E31 PolarHBondContact O-N 3.07Å; R28-R52 PolarHBondContact O-NH2 2.86Å; R28-R55 VanDerWaalsContact NH1-NH1 3.17Å; R28-E58 IonicContact CZ-OE1 3.99Å; R28-E58 IonicContact CZ-OE2 2.66Å; R28-E58 IonicContact NE-OE2 3.59Å; R28-E58 IonicContact NH1-OE1 2.68Å; R28-E58 PolarHBondContact NH1-OE1 2.95Å; R28-E58 IonicContact NH1-OE2 3.15Å; R28-E58 PolarHBondContact NH1-OE2 2.94Å; R28-E58 IonicContact NH2-OE1 2.94Å; R28-E58 PolarHBondContact NH2-OE1 2.83Å; R28-E58 IonicContact NH2-OE2 3.95Å; R28-E58 PolarHBondContact NH2-OE2 2.92Å
29F74.3Confident70.7Confident131 Ų13174.9 Ų74.958%0.57543%0.429SS*.THydrogen-bonded Turntrans-70128.1-178.9-58.8-68.5000110.1E26 Q27 E31 R115E26-F29 WeakPolarHBondContact O-CZ 3.42Å; Q27-F29 PolarHBondContact O-N 3.26Å; F29-E31 VanDerWaalsContact C-N 3.26Å; F29-E31 PolarHBondContact O-N 3.26Å; F29-R115 PolarHBondContact O-NE 3.42Å; F29-R115 VanDerWaalsContact O-NE 3.16Å
30G75.9Confident72Confident50 Ų5077.4 Ų77.452%0.51544%0.437SS..THydrogen-bonded Turntrans74.57.5-177.700000114.9R28 R115R28-G30 PolarHBondContact O-N 2.81Å; G30-R115 PolarHBondContact O-NH2 2.97Å
31E79.1Confident73Confident45 Ų4575.2 Ų75.221%0.2143%0.427CS..SBendtrans-74.2155163.8-71.7-169.4-163.400111.1R28 F29 L33 R55 H82R28-E31 HydrophobicContact CB-CB 4.24Å; R28-E31 HydrophobicContact CB-CG 4.05Å; R28-E31 WeakPolarHBondContact CD-OE2 3.31Å; R28-E31 IonicContact NH1-OE1 2.62Å; R28-E31 IonicContact NH1-OE2 2.8Å; R28-E31 PolarHBondContact NH1-OE2 3.45Å; R28-E31 VanDerWaalsContact NH1-OE2 3.15Å; R28-E31 PolarHBondContact O-N 3.07Å; F29-E31 VanDerWaalsContact C-N 3.26Å; F29-E31 PolarHBondContact O-N 3.26Å; E31-L33 PolarHBondContact O-N 3.25Å; E31-R55 IonicContact OE2-CZ 3.33Å; E31-R55 IonicContact OE2-NH1 2.98Å; E31-R55 PolarHBondContact OE2-NH1 3.08Å; E31-R55 VanDerWaalsContact OE2-NH1 3.1Å; E31-H82 IonicContact OE1-CE1 2.86Å; E31-H82 PolarHBondContact OE1-CE1 3.5Å; E31-H82 IonicContact OE1-NE2 3.69Å; E31-H82 PolarHBondContact OE1-NE2 3.19Å
32G73.8Confident73.5Confident18 Ų1874.9 Ų74.919%0.18642%0.423CS..PPolyproline II helixtrans-57.4135.7170.600000111.7R55 H110G32-R55 PolarHBondContact O-NH2 3.08Å; G32-H110 WeakPolarHBondContact CA-NE2 2.97Å
33L77.1Confident73.6Confident97 Ų9777 Ų7751%0.50843%0.429SS..PPolyproline II helixtrans-94.1128173.1-70.8173.1000109.6E31 E37 R52E31-L33 PolarHBondContact O-N 3.25Å; L33-E37 WeakPolarHBondContact CA-OE2 3.44Å; L33-R52 VanDerWaalsContact CD2-NH1 3.27Å
34L76.4Confident73.4Confident83 Ų8377.4 Ų77.444%0.43543%0.431SS..PPolyproline II helixtrans-87.2143.9164.9-61.3174.9000109.6E36 E37L34-E36 WeakPolarHBondContact CB-OE2 3.36Å; L34-E36 PolarHBondContact O-N 3.36Å; L34-E36 VanDerWaalsContact O-N 3.13Å; L34-E37 HydrophobicContact CB-CG 4Å; L34-E37 PolarHBondContact N-OE2 2.91Å; L34-E37 WeakPolarHBondContact O-CB 3.47Å; L34-E37 PolarHBondContact O-N 3.34Å
35P79.8Confident73.3Confident98 Ų9882.5 Ų82.564%0.63645%0.453SS*.G310 helixtrans-54.1-33176.4-26.335.5000113E37 I38P35-E37 PolarHBondContact O-N 3.21Å; P35-I38 PolarHBondContact O-N 3.17Å
36E80.7Confident73.9Confident139 Ų13981.9 Ų81.965%0.6545%0.447SS*.G310 helixtrans-70.1-19.8179.3-47.882.9-137.200113.3L34 I38L34-E36 WeakPolarHBondContact CB-OE2 3.36Å; L34-E36 PolarHBondContact O-N 3.36Å; L34-E36 VanDerWaalsContact O-N 3.13Å; E36-I38 VanDerWaalsContact C-N 3.32Å
37E75.1Confident74Confident13 Ų1387.8 Ų87.86%0.06147%0.468CS..G310 helixtrans-80.5-15.8178.1-64.9167.3169.800112.6L33 L34 P35 L39 R55L33-E37 WeakPolarHBondContact CA-OE2 3.44Å; L34-E37 HydrophobicContact CB-CG 4Å; L34-E37 PolarHBondContact N-OE2 2.91Å; L34-E37 WeakPolarHBondContact O-CB 3.47Å; L34-E37 PolarHBondContact O-N 3.34Å; P35-E37 PolarHBondContact O-N 3.21Å; E37-L39 PolarHBondContact O-N 2.85Å; E37-L39 VanDerWaalsContact O-N 3.16Å; E37-R55 WeakPolarHBondContact OE1-CG 3.35Å; E37-R55 IonicContact OE1-CZ 3.34Å; E37-R55 IonicContact OE1-NE 3.16Å; E37-R55 PolarHBondContact OE1-NE 2.95Å; E37-R55 IonicContact OE1-NH2 3.99Å; E37-R55 PolarHBondContact OE1-NH2 2.83Å; E37-R55 IonicContact OE2-NH2 2.82Å
38I76.3Confident74.2Confident86 Ų8695.1 Ų95.144%0.44150%0.496SS..BIsolated β-bridgetrans-87.388.5-172.6-54.2175.7000109.4P35 E36P35-I38 PolarHBondContact O-N 3.17Å; E36-I38 VanDerWaalsContact C-N 3.32Å
39L77.4Confident73.9Confident78 Ų7896.8 Ų96.841%0.40851%0.51SS..PPolyproline II helixtrans-75.9161.1174.3-56.2-178.4000112.1E37 R50 P51 A53E37-L39 PolarHBondContact O-N 2.85Å; E37-L39 VanDerWaalsContact O-N 3.16Å; L39-R50 VanDerWaalsContact O-CD 3.27Å; L39-R50 WeakPolarHBondContact O-CD 3.29Å; L39-R50 VanDerWaalsContact O-CG 3.27Å; L39-R50 WeakPolarHBondContact O-CG 3.13Å; L39-R50 PolarHBondContact O-NE 3.01Å; L39-P51 WeakPolarHBondContact CB-O 3.22Å; L39-P51 HydrophobicContact CD1-CB 4.44Å; L39-A53 HydrophobicContact CD1-CB 4.46Å; L39-A53 HydrophobicContact CD2-CB 4.48Å
40T77.6Confident73.8Confident125 Ų12596.5 Ų96.577%0.76751%0.505SS*.PPolyproline II helixtrans-60.7124.5173.9-52.70000109.5
41P78.5Confident73.3Confident37 Ų3797.4 Ų97.424%0.2450%0.502CS..PPolyproline II helixtrans-68.5143.7-179.631.1-35.5000110.3Y48 V49 R50P41-Y48 HydrophobicContact CB-CD1 3.89Å; P41-Y48 HydrophobicContact CB-CG 4.34Å; P41-Y48 HydrophobicContact CG-CD1 4.11Å; P41-V49 WeakPolarHBondContact CA-O 3.33Å; P41-R50 HydrophobicContact CB-CB 4.17Å
42T74.8Confident72.9Confident92 Ų9298.3 Ų98.356%0.56450%0.503SS*.EExtended strand (participates in β ladder)trans-103.1132.4171.9-56.70000108.9Y44 V49T42-Y44 PolarHBondContact O-N 2.85Å; T42-V49 PolarHBondContact N-O 3.34Å; T42-V49 PolarHBondContact O-N 2.97Å
43L69.8Low72.5Confident110 Ų11099.5 Ų99.558%0.57651%0.511SS*.EExtended strand (participates in β ladder)trans-79.8114.3175.2-171.473.5000109.3Y48L43-Y48 HydrophobicContact CB-CD1 4.42Å; L43-Y48 HydrophobicContact CB-CE1 4.27Å; L43-Y48 HydrophobicContact CD1-CD1 4.08Å; L43-Y48 HydrophobicContact CD1-CD2 4.48Å; L43-Y48 HydrophobicContact CD1-CE1 3.94Å; L43-Y48 HydrophobicContact CD1-CE2 4.35Å; L43-Y48 HydrophobicContact CD1-CG 4.36Å
44Y63.3Low71.7Confident169 Ų16998.9 Ų98.966%0.66352%0.52SS*.EExtended strand (participates in β ladder)trans-123.2117.5176.8-176.5-101000109.9T42 G46 Y47T42-Y44 PolarHBondContact O-N 2.85Å; Y44-G46 PolarHBondContact O-N 2.8Å; Y44-G46 VanDerWaalsContact O-N 3.12Å; Y44-Y47 PolarHBondContact N-O 2.93Å; Y44-Y47 PolarHBondContact O-N 2.9Å
45H63.8Low70.9Confident173 Ų17398.2 Ų98.280%0.80151%0.512SS*.THydrogen-bonded Turntrans48.939.7178.1-139.173.4000114.7Y47H45-Y47 WeakPolarHBondContact O-CD2 3.25Å; H45-Y47 WeakPolarHBondContact O-CE2 3.14Å
46G71.5Confident69.5Low64 Ų6498.8 Ų98.866%0.6653%0.525SS*.THydrogen-bonded Turntrans86.5-1.5-179.400000115.3Y44Y44-G46 PolarHBondContact O-N 2.8Å; Y44-G46 VanDerWaalsContact O-N 3.12Å
47Y67Low68.2Low177 Ų17796.2 Ų96.269%0.69454%0.536SS*.EExtended strand (participates in β ladder)trans-113.6138.6178.9-57.7-83.7000110.9Y44 H45 V49Y44-Y47 PolarHBondContact N-O 2.93Å; Y44-Y47 PolarHBondContact O-N 2.9Å; H45-Y47 WeakPolarHBondContact O-CD2 3.25Å; H45-Y47 WeakPolarHBondContact O-CE2 3.14Å; Y47-V49 PolarHBondContact O-N 3.2Å
48Y72.8Confident67.2Low177 Ų17798.7 Ų98.769%0.69455%0.547SS*.EExtended strand (participates in β ladder)trans-78.3111.4169.8-73.8-69.2000109.2P41 L43P41-Y48 HydrophobicContact CB-CD1 3.89Å; P41-Y48 HydrophobicContact CB-CG 4.34Å; P41-Y48 HydrophobicContact CG-CD1 4.11Å; L43-Y48 HydrophobicContact CB-CD1 4.42Å; L43-Y48 HydrophobicContact CB-CE1 4.27Å; L43-Y48 HydrophobicContact CD1-CD1 4.08Å; L43-Y48 HydrophobicContact CD1-CD2 4.48Å; L43-Y48 HydrophobicContact CD1-CE1 3.94Å; L43-Y48 HydrophobicContact CD1-CE2 4.35Å; L43-Y48 HydrophobicContact CD1-CG 4.36Å
49V67.6Low66Low71 Ų7197.2 Ų97.243%0.4355%0.553SS.*EExtended strand (participates in β ladder)trans-93.2119.6169.1-178.40000107.1P41 T42 Y47 P51P41-V49 WeakPolarHBondContact CA-O 3.33Å; T42-V49 PolarHBondContact N-O 3.34Å; T42-V49 PolarHBondContact O-N 2.97Å; Y47-V49 PolarHBondContact O-N 3.2Å; V49-P51 WeakPolarHBondContact O-CD 3.38Å
50R70.9Confident64.8Low125 Ų12598.6 Ų98.647%0.47258%0.576SS.*  trans-116.496.2176.9-175.3176.3-78.6137.9-5108.9L39 P41L39-R50 VanDerWaalsContact O-CD 3.27Å; L39-R50 WeakPolarHBondContact O-CD 3.29Å; L39-R50 VanDerWaalsContact O-CG 3.27Å; L39-R50 WeakPolarHBondContact O-CG 3.13Å; L39-R50 PolarHBondContact O-NE 3.01Å; P41-R50 HydrophobicContact CB-CB 4.17Å
51P67Low63.5Low68 Ų68102.7 Ų102.744%0.44258%0.577SS.*PPolyproline II helixtrans-59.2138.6170.4-17.530.2000109.6L39 V49L39-P51 WeakPolarHBondContact CB-O 3.22Å; L39-P51 HydrophobicContact CD1-CB 4.44Å; V49-P51 WeakPolarHBondContact O-CD 3.38Å
52R69.2Low62.4Low65 Ų65103.1 Ų103.125%0.24558%0.584CS.*BIsolated β-bridgetrans-86144163.8-65.8-164.6-161.4173.612.9109.7E26 R28 L33E26-R52 IonicContact OE1-CZ 3.73Å; E26-R52 IonicContact OE1-NE 2.84Å; E26-R52 PolarHBondContact OE1-NE 2.87Å; E26-R52 IonicContact OE1-NH2 3.2Å; E26-R52 PolarHBondContact OE1-NH2 2.87Å; E26-R52 IonicContact OE2-NE 2.65Å; R28-R52 PolarHBondContact O-NH2 2.86Å; L33-R52 VanDerWaalsContact CD2-NH1 3.27Å
53A65.3Low61.6Low42 Ų4298.9 Ų98.935%0.34756%0.559SS.*PPolyproline II helixtrans-64.4135.4165.900000109.1L39 R55L39-A53 HydrophobicContact CD1-CB 4.46Å; L39-A53 HydrophobicContact CD2-CB 4.48Å; A53-R55 PolarHBondContact O-N 2.99Å
54A61.3Low61.2Low85 Ų8595.4 Ų95.470%0.70255%0.546SS*.PPolyproline II helixtrans-62.1130.4170.600000108.7A56A54-A56 PolarHBondContact O-N 3Å
55R59.2Low61.8Low68 Ų6887.3 Ų87.326%0.25751%0.514SS..PPolyproline II helixtrans-61.7131.6175.5-63.2-172.2168.6128.79.4108.5R28 E31 G32 E37 A53 G57 E58R28-R55 VanDerWaalsContact NH1-NH1 3.17Å; E31-R55 IonicContact OE2-CZ 3.33Å; E31-R55 IonicContact OE2-NH1 2.98Å; E31-R55 PolarHBondContact OE2-NH1 3.08Å; E31-R55 VanDerWaalsContact OE2-NH1 3.1Å; G32-R55 PolarHBondContact O-NH2 3.08Å; E37-R55 WeakPolarHBondContact OE1-CG 3.35Å; E37-R55 IonicContact OE1-CZ 3.34Å; E37-R55 IonicContact OE1-NE 3.16Å; E37-R55 PolarHBondContact OE1-NE 2.95Å; E37-R55 IonicContact OE1-NH2 3.99Å; E37-R55 PolarHBondContact OE1-NH2 2.83Å; E37-R55 IonicContact OE2-NH2 2.82Å; A53-R55 PolarHBondContact O-N 2.99Å; R55-G57 PolarHBondContact O-N 2.82Å; R55-G57 VanDerWaalsContact O-N 3.11Å; R55-E58 HydrophobicContact CB-CB 4.25Å; R55-E58 HydrophobicContact CB-CG 4.15Å; R55-E58 VanDerWaalsContact CB-OE2 3.22Å; R55-E58 WeakPolarHBondContact CB-OE2 3.14Å; R55-E58 VanDerWaalsContact CD-OE2 3.24Å; R55-E58 WeakPolarHBondContact CD-OE2 3.34Å; R55-E58 VanDerWaalsContact CG-OE2 3.28Å; R55-E58 WeakPolarHBondContact CG-OE2 3.4Å; R55-E58 IonicContact NH1-OE1 2.95Å; R55-E58 PolarHBondContact O-N 2.7Å; R55-E58 VanDerWaalsContact O-N 3.11Å
56A51.3Low62.8Low110 Ų11080.7 Ų80.791%0.90948%0.483SS*.THydrogen-bonded Turntrans-58.4119172.100000109.2A54A54-A56 PolarHBondContact O-N 3Å
57G52.6Low63.4Low85 Ų8579 Ų7988%0.87646%0.459SS*.THydrogen-bonded Turntrans105.7-23.6-179.400000114.6R55 G59R55-G57 PolarHBondContact O-N 2.82Å; R55-G57 VanDerWaalsContact O-N 3.11Å; G57-G59 PolarHBondContact O-N 3.04Å
58E54.6Low64.3Low66 Ų6676 Ų7631%0.30845%0.447SS..SBendtrans-83.5108.7166.7-69.3174.5157.900106.7R28 R55 A62R28-E58 IonicContact CZ-OE1 3.99Å; R28-E58 IonicContact CZ-OE2 2.66Å; R28-E58 IonicContact NE-OE2 3.59Å; R28-E58 IonicContact NH1-OE1 2.68Å; R28-E58 PolarHBondContact NH1-OE1 2.95Å; R28-E58 IonicContact NH1-OE2 3.15Å; R28-E58 PolarHBondContact NH1-OE2 2.94Å; R28-E58 IonicContact NH2-OE1 2.94Å; R28-E58 PolarHBondContact NH2-OE1 2.83Å; R28-E58 IonicContact NH2-OE2 3.95Å; R28-E58 PolarHBondContact NH2-OE2 2.92Å; R55-E58 HydrophobicContact CB-CB 4.25Å; R55-E58 HydrophobicContact CB-CG 4.15Å; R55-E58 VanDerWaalsContact CB-OE2 3.22Å; R55-E58 WeakPolarHBondContact CB-OE2 3.14Å; R55-E58 VanDerWaalsContact CD-OE2 3.24Å; R55-E58 WeakPolarHBondContact CD-OE2 3.34Å; R55-E58 VanDerWaalsContact CG-OE2 3.28Å; R55-E58 WeakPolarHBondContact CG-OE2 3.4Å; R55-E58 IonicContact NH1-OE1 2.95Å; R55-E58 PolarHBondContact O-N 2.7Å; R55-E58 VanDerWaalsContact O-N 3.11Å; E58-A62 HydrophobicContact CB-CB 3.91Å
59G50.2Low64.8Low55 Ų5571.8 Ų71.857%0.56744%0.436SS*.  trans-52.3158.5-17900000111.3G57 R61 A62G57-G59 PolarHBondContact O-N 3.04Å; G59-R61 PolarHBondContact O-N 3.19Å; G59-A62 PolarHBondContact O-N 2.86Å
60A52.4Low65.5Low106 Ų10670.9 Ų70.988%0.87643%0.432SS*.THydrogen-bonded Turntrans-54.91-178.600000116
61R51Low65.7Low211 Ų21174.1 Ų74.180%0.79645%0.453SS*.THydrogen-bonded Turntrans-101.9-18.9178.7-65.1-177.9175.8168.5-0.2114.2G59 G63 A64G59-R61 PolarHBondContact O-N 3.19Å; R61-G63 PolarHBondContact O-N 2.94Å; R61-G63 VanDerWaalsContact O-N 3.15Å; R61-A64 PolarHBondContact O-N 2.84Å; R61-A64 VanDerWaalsContact O-N 3.08Å
62A54Low66.5Low47 Ų4773.3 Ų73.339%0.38846%0.457SS..THydrogen-bonded Turntrans-69.5112.4-173.700000110.8E58 G59E58-A62 HydrophobicContact CB-CB 3.91Å; G59-A62 PolarHBondContact O-N 2.86Å
63G58Low67.5Low3 Ų373.5 Ų73.53%0.03146%0.46CS..THydrogen-bonded Turntrans86.5-1.5-173.900000115.8Q27 R61 D79Q27-G63 PolarHBondContact NE2-O 2.81Å; R61-G63 PolarHBondContact O-N 2.94Å; R61-G63 VanDerWaalsContact O-N 3.15Å; G63-D79 WeakPolarHBondContact CA-OD2 3.36Å; G63-D79 PolarHBondContact N-OD2 2.79Å
64A63.4Low68.8Low36 Ų3671.6 Ų71.630%0.29844%0.443SS..  trans-92.3112-174.800000111.4R61R61-A64 PolarHBondContact O-N 2.84Å; R61-A64 VanDerWaalsContact O-N 3.08Å
65S75.2Confident70.3Confident0 Ų068.4 Ų68.40%041%0.414CS..EExtended strand (participates in β ladder)trans-81.3139.9165.1-84.10000110.7R23 L24 Q27 F77 L78 R119R23-S65 VanDerWaalsContact CA-O 3.25Å; R23-S65 WeakPolarHBondContact CA-O 3.45Å; L24-S65 PolarHBondContact N-O 3Å; L24-S65 PolarHBondContact O-N 2.78Å; Q27-S65 VanDerWaalsContact NE2-CB 3.33Å; Q27-S65 PolarHBondContact NE2-OG 3.26Å; Q27-S65 PolarHBondContact OE1-OG 2.97Å; S65-F77 CarbonylContact C-O 3.59Å; S65-F77 WeakPolarHBondContact CA-O 3.39Å; S65-F77 WeakPolarHBondContact CB-O 3.49Å; S65-F77 PolarHBondContact OG-O 3.17Å; S65-L78 WeakPolarHBondContact OG-CA 3.13Å; S65-L78 WeakPolarHBondContact OG-CD2 3.42Å; S65-R119 PolarHBondContact OG-NH1 2.76Å
66E84.1Confident71.8Confident33 Ų3365.2 Ų65.215%0.15440%0.402CS..EExtended strand (participates in β ladder)trans-131.8128.9177.8-169.2171.5-139.100110.9S22 R23 R68 A76 F77S22-E66 CarbonylContact O-C 3.57Å; S22-E66 VanDerWaalsContact O-CA 3.28Å; S22-E66 WeakPolarHBondContact O-CA 3.42Å; R23-E66 HydrophobicContact CG-CB 4.39Å; R23-E66 HydrophobicContact CG-CG 4.05Å; R23-E66 IonicContact CZ-OE1 3.27Å; R23-E66 VanDerWaalsContact CZ-OE1 3.31Å; R23-E66 IonicContact NE-OE1 3.97Å; R23-E66 PolarHBondContact NE-OE1 3.04Å; R23-E66 IonicContact NH2-OE1 2.75Å; R23-E66 PolarHBondContact NH2-OE1 2.81Å; E66-R68 HydrophobicContact CG-CG 3.96Å; E66-R68 IonicContact OE1-NE 3.04Å; E66-R68 IonicContact OE2-CZ 3.9Å; E66-R68 IonicContact OE2-NE 3.61Å; E66-R68 PolarHBondContact OE2-NE 2.78Å; E66-R68 IonicContact OE2-NH2 3.45Å; E66-R68 PolarHBondContact OE2-NH2 2.76Å; E66-A76 CarbonylContact O-C 3.55Å; E66-A76 WeakPolarHBondContact O-CA 3.42Å; E66-F77 HydrophobicContact CB-CD2 4.39Å; E66-F77 PolarHBondContact N-O 3.41Å; E66-F77 VanDerWaalsContact N-O 3.16Å; E66-F77 PolarHBondContact O-N 2.61Å
67L85.2Confident73.7Confident30 Ų3062 Ų6216%0.15737%0.368CS..EExtended strand (participates in β ladder)trans-99.9122.8168.6179.669.3000108.1S22 F74 A76 Y121S22-L67 WeakPolarHBondContact CB-O 3.27Å; S22-L67 PolarHBondContact O-N 2.85Å; L67-F74 HydrophobicContact CD1-CD2 4.27Å; L67-F74 HydrophobicContact CD1-CE2 3.48Å; L67-F74 VanDerWaalsContact CD1-CE2 3.48Å; L67-F74 HydrophobicContact CD1-CZ 3.7Å; L67-A76 HydrophobicContact CD1-CB 4.03Å; L67-Y121 HydrophobicContact CD1-CD1 4.24Å; L67-Y121 HydrophobicContact CD1-CE1 4.38Å
68R85.6Confident75.6Confident113 Ų11358 Ų5843%0.42633%0.326SS..EExtended strand (participates in β ladder)trans-118.7118.1177.5-59.5-176-177.4174.9-0.3109.1E66 Q75E66-R68 HydrophobicContact CG-CG 3.96Å; E66-R68 IonicContact OE1-NE 3.04Å; E66-R68 IonicContact OE2-CZ 3.9Å; E66-R68 IonicContact OE2-NE 3.61Å; E66-R68 PolarHBondContact OE2-NE 2.78Å; E66-R68 IonicContact OE2-NH2 3.45Å; E66-R68 PolarHBondContact OE2-NH2 2.76Å; R68-Q75 HydrophobicContact CB-CB 4.33Å; R68-Q75 PolarHBondContact N-O 2.68Å; R68-Q75 PolarHBondContact O-N 2.73Å
69L82.6Confident77.2Confident89 Ų8956 Ų5647%0.46632%0.318SS..EExtended strand (participates in β ladder)trans-105.5109.4171.1-59.6177.1000107.5F74 P124L69-F74 HydrophobicContact CD2-CD2 3.5Å; L69-F74 HydrophobicContact CD2-CE2 4.1Å; L69-F74 HydrophobicContact CD2-CG 4.45Å; L69-P124 HydrophobicContact CD2-CG 3.95Å
70S82.3Confident79.1Confident52 Ų5253.5 Ų53.536%0.36429%0.291SS..  trans-111.5166.8174.267.30000109.9G72 K73 R148S70-G72 PolarHBondContact O-N 2.82Å; S70-K73 PolarHBondContact N-O 2.82Å; S70-K73 VanDerWaalsContact N-O 3.08Å; S70-K73 VanDerWaalsContact OG-CG 3.25Å; S70-K73 WeakPolarHBondContact OG-CG 3.46Å; S70-K73 PolarHBondContact OG-N 2.68Å; S70-K73 PolarHBondContact OG-O 2.91Å; S70-R148 WeakPolarHBondContact O-CD 3.41Å; S70-R148 PolarHBondContact O-NH1 2.47Å
71E76.1Confident80.9Confident193 Ų19351.1 Ų51.190%0.90227%0.268SS*.SBendtrans-60.5-31.5-178.8-66.9-177.4174.800113.2
72G84.3Confident82.8Confident51 Ų5143.5 Ų43.553%0.52624%0.241SC..SBendtrans-102.9-17-176.100000115.7S70 R148S70-G72 PolarHBondContact O-N 2.82Å; G72-R148 PolarHBondContact O-N 2.66Å
73K89.8Confident84.6Confident69 Ų6942.3 Ų42.330%0.323%0.228SC..EExtended strand (participates in β ladder)trans-154.2148.3-176.463.3175.9-173.9173.90114.2S70 E145 A146S70-K73 PolarHBondContact N-O 2.82Å; S70-K73 VanDerWaalsContact N-O 3.08Å; S70-K73 VanDerWaalsContact OG-CG 3.25Å; S70-K73 WeakPolarHBondContact OG-CG 3.46Å; S70-K73 PolarHBondContact OG-N 2.68Å; S70-K73 PolarHBondContact OG-O 2.91Å; K73-E145 HydrophobicContact CD-CG 4.26Å; K73-E145 IonicContact NZ-OE1 2.59Å; K73-E145 IonicContact NZ-OE2 2.68Å; K73-E145 PolarHBondContact NZ-OE2 3.36Å; K73-A146 CarbonylContact C-O 3.58Å; K73-A146 WeakPolarHBondContact CA-O 3.28Å
74F91.3Very high86.3Confident1 Ų144.4 Ų44.40%0.00424%0.24CC..EExtended strand (participates in β ladder)trans-87.7134.2162.3170.5-86.3000108.6L67 L69 A76 L97 L123 P124 V127 E145 A146L67-F74 HydrophobicContact CD1-CD2 4.27Å; L67-F74 HydrophobicContact CD1-CE2 3.48Å; L67-F74 VanDerWaalsContact CD1-CE2 3.48Å; L67-F74 HydrophobicContact CD1-CZ 3.7Å; L69-F74 HydrophobicContact CD2-CD2 3.5Å; L69-F74 HydrophobicContact CD2-CE2 4.1Å; L69-F74 HydrophobicContact CD2-CG 4.45Å; F74-A76 HydrophobicContact CE1-CB 4.24Å; F74-A76 HydrophobicContact CZ-CB 4.26Å; F74-L97 HydrophobicContact CE1-CD2 3.75Å; F74-L97 HydrophobicContact CZ-CD2 4.18Å; F74-L123 HydrophobicContact CD1-CD2 4.17Å; F74-L123 HydrophobicContact CD2-CD2 4.42Å; F74-L123 HydrophobicContact CE1-CD2 3.93Å; F74-L123 HydrophobicContact CE2-CD2 4.17Å; F74-L123 HydrophobicContact CG-CD2 4.42Å; F74-L123 HydrophobicContact CZ-CD2 3.94Å; F74-P124 HydrophobicContact CD2-CG 4.14Å; F74-V127 HydrophobicContact CB-CG2 3.83Å; F74-E145 WeakPolarHBondContact O-CA 3.24Å; F74-A146 HydrophobicContact CB-CB 4.43Å; F74-A146 HydrophobicContact CD1-CB 4.43Å; F74-A146 PolarHBondContact N-O 2.68Å; F74-A146 PolarHBondContact O-N 3.49Å
75Q93Very high87.7Confident19 Ų1945.3 Ų45.39%0.08924%0.242CC..EExtended strand (participates in β ladder)trans-142.6134.5175.1-175.216947.800111.4R68 F77 N143 L144R68-Q75 HydrophobicContact CB-CB 4.33Å; R68-Q75 PolarHBondContact N-O 2.68Å; R68-Q75 PolarHBondContact O-N 2.73Å; Q75-F77 HydrophobicContact CG-CD2 4.23Å; Q75-F77 HydrophobicContact CG-CE2 3.57Å; Q75-F77 HydrophobicContact CG-CZ 3.84Å; Q75-N143 PolarHBondContact NE2-OD1 2.83Å; Q75-L144 CarbonylContact C-O 3.52Å; Q75-L144 WeakPolarHBondContact CA-O 3.49Å
76A92.1Very high88.7Confident0 Ų051.6 Ų51.60%028%0.276CS..EExtended strand (participates in β ladder)trans-130.7137.3172.400000110.7E66 L67 F74 Y121 L144E66-A76 CarbonylContact O-C 3.55Å; E66-A76 WeakPolarHBondContact O-CA 3.42Å; L67-A76 HydrophobicContact CD1-CB 4.03Å; F74-A76 HydrophobicContact CE1-CB 4.24Å; F74-A76 HydrophobicContact CZ-CB 4.26Å; A76-Y121 HydrophobicContact CB-CE1 4.39Å; A76-Y121 HydrophobicContact CB-CE2 4.35Å; A76-L144 HydrophobicContact CB-CB 4.25Å; A76-L144 HydrophobicContact CB-CD1 4.41Å; A76-L144 PolarHBondContact N-O 3.42Å; A76-L144 PolarHBondContact O-N 3.33Å
77F91.1Very high89.3Confident44 Ų4451.1 Ų51.119%0.19327%0.274CS..EExtended strand (participates in β ladder)trans-111.5131.5173.8-63.2-85.1000109.5S65 E66 Q75 I141 L142 N143S65-F77 CarbonylContact C-O 3.59Å; S65-F77 WeakPolarHBondContact CA-O 3.39Å; S65-F77 WeakPolarHBondContact CB-O 3.49Å; S65-F77 PolarHBondContact OG-O 3.17Å; E66-F77 HydrophobicContact CB-CD2 4.39Å; E66-F77 PolarHBondContact N-O 3.41Å; E66-F77 VanDerWaalsContact N-O 3.16Å; E66-F77 PolarHBondContact O-N 2.61Å; Q75-F77 HydrophobicContact CG-CD2 4.23Å; Q75-F77 HydrophobicContact CG-CE2 3.57Å; Q75-F77 HydrophobicContact CG-CZ 3.84Å; F77-I141 HydrophobicContact CB-CG2 4.32Å; F77-I141 HydrophobicContact CD1-CG2 4.12Å; F77-L142 CarbonylContact C-O 3.48Å; F77-L142 WeakPolarHBondContact CA-O 3.41Å; F77-N143 HydrophobicContact CD1-CB 4.13Å; F77-N143 HydrophobicContact CE1-CB 4.01Å
78L90.9Very high89.8Confident0 Ų050.1 Ų50.10%027%0.269CS..EExtended strand (participates in β ladder)trans-126.9132.2179.9-73.2179.1000110.4S65 V80 V99 Y121 I141 L142 L144S65-L78 WeakPolarHBondContact OG-CA 3.13Å; S65-L78 WeakPolarHBondContact OG-CD2 3.42Å; L78-V80 HydrophobicContact CB-CG1 4.25Å; L78-V80 PolarHBondContact O-N 3.36Å; L78-V99 HydrophobicContact CD1-CB 3.91Å; L78-V99 HydrophobicContact CD1-CG1 3.8Å; L78-V99 HydrophobicContact CD1-CG2 3.69Å; L78-Y121 HydrophobicContact CD1-CE2 4.14Å; L78-Y121 HydrophobicContact CD2-CE2 4.39Å; L78-Y121 WeakPolarHBondContact CD2-OH 3.22Å; L78-Y121 HydrophobicContact CG-CE2 4.47Å; L78-I141 CarbonylContact O-C 3.45Å; L78-I141 WeakPolarHBondContact O-CA 3.34Å; L78-L142 HydrophobicContact CB-CB 4.13Å; L78-L142 HydrophobicContact CD1-CD2 4.19Å; L78-L142 PolarHBondContact N-O 2.88Å; L78-L142 PolarHBondContact O-N 3.12Å; L78-L144 HydrophobicContact CD1-CD1 4.01Å
79D88.9Confident90.4Very high25 Ų2548.3 Ų48.313%0.13427%0.271CS..EExtended strand (participates in β ladder)trans-83.2114169.1-170.7-24.6000107.8G63 S81 I141G63-D79 WeakPolarHBondContact CA-OD2 3.36Å; G63-D79 PolarHBondContact N-OD2 2.79Å; D79-S81 WeakPolarHBondContact OD1-CB 2.93Å; D79-S81 PolarHBondContact OD1-N 2.81Å; D79-S81 PolarHBondContact OD1-OG 2.94Å; D79-I141 HydrophobicContact CB-CD1 4.16Å
80V91.2Very high91.1Very high1 Ų144.2 Ų44.21%0.00625%0.249CC..  trans-123.723.8176.6-60.20000110.7L78 H82 F83 V88 F117 L136 G140 L142L78-V80 HydrophobicContact CB-CG1 4.25Å; L78-V80 PolarHBondContact O-N 3.36Å; V80-H82 PolarHBondContact O-N 2.82Å; V80-F83 HydrophobicContact CB-CD2 4.27Å; V80-F83 PolarHBondContact O-N 3.09Å; V80-V88 HydrophobicContact CB-CG2 4.2Å; V80-V88 HydrophobicContact CG2-CG2 4.26Å; V80-F117 HydrophobicContact CG1-CE1 3.85Å; V80-F117 HydrophobicContact CG1-CZ 3.68Å; V80-L136 HydrophobicContact CG2-CD1 3.5Å; V80-G140 CarbonylContact C-O 3.52Å; V80-G140 VanDerWaalsContact CG2-O 3.26Å; V80-G140 WeakPolarHBondContact CG2-O 3.39Å; V80-G140 PolarHBondContact N-O 3.33Å; V80-L142 HydrophobicContact CG1-CB 4.34Å; V80-L142 HydrophobicContact CG2-CB 3.9Å
81S89.6Confident91.7Very high57 Ų5746.9 Ų46.940%0.39925%0.252SS..THydrogen-bonded Turntrans-58.9-17.2-175.957.80000114.9D79 G140D79-S81 WeakPolarHBondContact OD1-CB 2.93Å; D79-S81 PolarHBondContact OD1-N 2.81Å; D79-S81 PolarHBondContact OD1-OG 2.94Å; S81-G140 PolarHBondContact N-O 3.11Å
82H89.7Confident92.5Very high50 Ų5037.8 Ų37.823%0.23121%0.209CC..THydrogen-bonded Turntrans-86.2-2.5174.8-56.7-43.8000114.5E31 V80 H103E31-H82 IonicContact OE1-CE1 2.86Å; E31-H82 PolarHBondContact OE1-CE1 3.5Å; E31-H82 IonicContact OE1-NE2 3.69Å; E31-H82 PolarHBondContact OE1-NE2 3.19Å; V80-H82 PolarHBondContact O-N 2.82Å; H82-H103 PolarHBondContact O-CD2 2.81Å; H82-H103 VanDerWaalsContact O-CD2 3.24Å
83F92.9Very high92.7Very high23 Ų2336.8 Ų36.810%0.10119%0.193CC..SBendtrans-119.4143.8-176.6-58.5-85.4000110.1V80 E87 V88 A101 H103 R115 F117V80-F83 HydrophobicContact CB-CD2 4.27Å; V80-F83 PolarHBondContact O-N 3.09Å; F83-E87 HydrophobicContact CB-CB 4.15Å; F83-E87 HydrophobicContact CD1-CB 4.33Å; F83-V88 HydrophobicContact CB-CG2 3.76Å; F83-A101 HydrophobicContact CB-CB 4.24Å; F83-A101 HydrophobicContact CD1-CB 3.55Å; F83-A101 HydrophobicContact CD2-CB 3.84Å; F83-A101 HydrophobicContact CE1-CB 3.76Å; F83-A101 HydrophobicContact CE2-CB 4.05Å; F83-A101 HydrophobicContact CG-CB 3.59Å; F83-A101 HydrophobicContact CZ-CB 4Å; F83-H103 HydrophobicContact CD1-CB 4.28Å; F83-H103 AromaticContact CD1-CD2 3.77Å; F83-H103 AromaticContact CE1-CD2 3.68Å; F83-R115 HydrophobicContact CE1-CB 3.9Å; F83-R115 HydrophobicContact CZ-CB 3.63Å; F83-F117 HydrophobicContact CD2-CD1 4.32Å; F83-F117 HydrophobicContact CD2-CE1 4.03Å; F83-F117 AromaticContact CE2-CD1 3.5Å; F83-F117 HydrophobicContact CE2-CD1 3.5Å; F83-F117 VanDerWaalsContact CE2-CD1 3.5Å; F83-F117 AromaticContact CE2-CE1 3.65Å; F83-F117 HydrophobicContact CE2-CE1 3.65Å; F83-F117 AromaticContact CZ-CD1 3.67Å; F83-F117 HydrophobicContact CZ-CD1 3.67Å; F83-F117 HydrophobicContact CZ-CE1 4.2Å
84T92.8Very high92.5Very high47 Ų4736.7 Ų36.729%0.28820%0.195SC..  trans-76.8158.2167.656.70000109.5D86 E87T84-D86 WeakPolarHBondContact CB-OD1 3.31Å; T84-D86 PolarHBondContact O-N 3.5Å; T84-D86 VanDerWaalsContact O-N 3.17Å; T84-D86 VanDerWaalsContact OG1-CG 3.3Å; T84-D86 PolarHBondContact OG1-OD1 2.78Å; T84-D86 PolarHBondContact OG1-OD2 2.96Å; T84-E87 PolarHBondContact N-OE2 2.93Å; T84-E87 WeakPolarHBondContact O-CA 3.15Å; T84-E87 WeakPolarHBondContact O-CB 3.3Å; T84-E87 PolarHBondContact O-N 3.25Å; T84-E87 VanDerWaalsContact OG1-CG 3.24Å; T84-E87 WeakPolarHBondContact OG1-CG 3.12Å; T84-E87 PolarHBondContact OG1-OE2 3.23Å; T84-E87 VanDerWaalsContact OG1-OE2 3.14Å
85P94.1Very high92.3Very high54 Ų5439.9 Ų39.935%0.35121%0.213SC..G310 helixtrans-58.1-32.8-176.8-25.133.2000114.5E87 V88 L136 L164P85-E87 PolarHBondContact O-N 3Å; P85-V88 PolarHBondContact O-N 2.99Å; P85-L136 HydrophobicContact CB-CD2 3.8Å; P85-L136 HydrophobicContact CG-CD2 3.73Å; P85-L164 HydrophobicContact CB-CD2 3.64Å; P85-L164 HydrophobicContact CG-CD1 4.36Å; P85-L164 HydrophobicContact CG-CD2 3.62Å
86D95.3Very high92.1Very high132 Ų13240.1 Ų40.171%0.70621%0.214SC*.G310 helixtrans-70.7-16.1175.557.7-62.8000113.6T84T84-D86 WeakPolarHBondContact CB-OD1 3.31Å; T84-D86 PolarHBondContact O-N 3.5Å; T84-D86 VanDerWaalsContact O-N 3.17Å; T84-D86 VanDerWaalsContact OG1-CG 3.3Å; T84-D86 PolarHBondContact OG1-OD1 2.78Å; T84-D86 PolarHBondContact OG1-OD2 2.96Å
87E96.2Very high92.1Very high23 Ų2340.1 Ų40.111%0.10721%0.214CC..G310 helixtrans-90.9-6.2177.1-68.8176.814500113F83 T84 P85 A101 R102 H103 R106F83-E87 HydrophobicContact CB-CB 4.15Å; F83-E87 HydrophobicContact CD1-CB 4.33Å; T84-E87 PolarHBondContact N-OE2 2.93Å; T84-E87 WeakPolarHBondContact O-CA 3.15Å; T84-E87 WeakPolarHBondContact O-CB 3.3Å; T84-E87 PolarHBondContact O-N 3.25Å; T84-E87 VanDerWaalsContact OG1-CG 3.24Å; T84-E87 WeakPolarHBondContact OG1-CG 3.12Å; T84-E87 PolarHBondContact OG1-OE2 3.23Å; T84-E87 VanDerWaalsContact OG1-OE2 3.14Å; P85-E87 PolarHBondContact O-N 3Å; E87-A101 WeakPolarHBondContact O-CA 3.04Å; E87-A101 WeakPolarHBondContact O-CB 3.48Å; E87-R102 WeakPolarHBondContact CB-O 3.29Å; E87-R102 PolarHBondContact O-N 2.9Å; E87-R102 VanDerWaalsContact O-N 3.11Å; E87-H103 HydrophobicContact CG-CB 4.48Å; E87-H103 WeakPolarHBondContact OE1-CA 3.4Å; E87-H103 WeakPolarHBondContact OE1-CB 3.37Å; E87-H103 WeakPolarHBondContact OE2-CB 3.47Å; E87-R106 IonicContact OE1-CZ 3.15Å; E87-R106 IonicContact OE1-NE 3.85Å; E87-R106 IonicContact OE1-NH1 3.1Å; E87-R106 PolarHBondContact OE1-NH1 2.84Å; E87-R106 IonicContact OE1-NH2 3.96Å; E87-R106 PolarHBondContact OE1-NH2 3.46Å; E87-R106 IonicContact OE2-CZ 3.63Å; E87-R106 VanDerWaalsContact OE2-CZ 3.27Å; E87-R106 IonicContact OE2-NH1 3.49Å; E87-R106 PolarHBondContact OE2-NH1 3.16Å; E87-R106 IonicContact OE2-NH2 2.87Å; E87-R106 PolarHBondContact OE2-NH2 2.63Å; E87-R106 VanDerWaalsContact OE2-NH2 3.1Å
88V97.1Very high92.3Very high9 Ų939.7 Ų39.76%0.05521%0.213CC..EExtended strand (participates in β ladder)trans-107.5129.4-179.4-173.40000109.3V80 F83 P85 V99 S100 A101 L142 I162V80-V88 HydrophobicContact CB-CG2 4.2Å; V80-V88 HydrophobicContact CG2-CG2 4.26Å; F83-V88 HydrophobicContact CB-CG2 3.76Å; P85-V88 PolarHBondContact O-N 2.99Å; V88-V99 HydrophobicContact CG1-CG1 4.18Å; V88-S100 CarbonylContact C-O 3.56Å; V88-S100 WeakPolarHBondContact CA-O 3.39Å; V88-A101 HydrophobicContact CB-CB 4.38Å; V88-A101 HydrophobicContact CG1-CB 4.49Å; V88-A101 HydrophobicContact CG2-CB 3.9Å; V88-L142 HydrophobicContact CG1-CD2 4.07Å; V88-I162 HydrophobicContact CB-CD1 3.87Å; V88-I162 HydrophobicContact CG1-CD1 3.73Å; V88-I162 WeakPolarHBondContact O-CD1 3.41Å
89T97.3Very high92.5Very high76 Ų7639.7 Ų39.747%0.46621%0.213SC..EExtended strand (participates in β ladder)trans-123.6136.1176.2-570000109.5V99 S100T89-V99 WeakPolarHBondContact O-CA 3.35Å; T89-S100 PolarHBondContact N-O 3.01Å; T89-S100 PolarHBondContact O-N 2.74Å
90V97.4Very high92.8Very high3 Ų340.9 Ų40.92%0.01822%0.223CC..EExtended strand (participates in β ladder)trans-122.6128.9175.9-176.70000108.2L97 E98 V99 A134 L142 L144 V160 I162V90-L97 HydrophobicContact CG1-CD1 3.58Å; V90-E98 WeakPolarHBondContact CA-O 3.29Å; V90-V99 HydrophobicContact CG2-CG1 4.39Å; V90-V99 HydrophobicContact CG2-CG2 4.34Å; V90-A134 HydrophobicContact CG2-CB 4.28Å; V90-L142 HydrophobicContact CG2-CD2 3.97Å; V90-L144 HydrophobicContact CG1-CD2 3.83Å; V90-L144 HydrophobicContact CG2-CD2 4.05Å; V90-V160 HydrophobicContact CB-CB 4.07Å; V90-V160 HydrophobicContact CG1-CB 3.83Å; V90-V160 HydrophobicContact CG1-CG1 4.32Å; V90-V160 HydrophobicContact CG1-CG2 4.22Å; V90-V160 PolarHBondContact O-N 2.82Å; V90-I162 HydrophobicContact CG2-CD1 3.99Å; V90-I162 HydrophobicContact CG2-CG1 4.08Å
91R95.4Very high93Very high108 Ų10841 Ų4141%0.40822%0.224SC..EExtended strand (participates in β ladder)trans-142.4154.4174.167.6179.2-177.1172.22.6110.9V93 E98 N158R91-V93 HydrophobicContact CG-CG2 4.39Å; R91-E98 HydrophobicContact CG-CB 3.97Å; R91-E98 IonicContact CZ-OE2 3.1Å; R91-E98 PolarHBondContact N-O 2.96Å; R91-E98 IonicContact NE-OE2 3.18Å; R91-E98 PolarHBondContact NE-OE2 3.25Å; R91-E98 IonicContact NH2-OE2 3.3Å; R91-E98 PolarHBondContact NH2-OE2 2.66Å; R91-E98 PolarHBondContact O-N 3.35Å; R91-N158 CarbonylContact C-O 3.59Å; R91-N158 VanDerWaalsContact CA-O 3.31Å; R91-N158 WeakPolarHBondContact CA-O 3.46Å
92T91.5Very high93.3Very high1 Ų146.1 Ų46.11%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-108.7136.7166.358.20000110.2L96 L97 L123 P129 V132 V157 N158 V160T92-L96 CarbonylContact C-O 3.44Å; T92-L96 WeakPolarHBondContact CA-O 3.33Å; T92-L97 HydrophobicContact CG2-CB 4.46Å; T92-L97 HydrophobicContact CG2-CD1 3.88Å; T92-L123 HydrophobicContact CG2-CD1 4.15Å; T92-P129 HydrophobicContact CG2-CB 4.09Å; T92-V132 HydrophobicContact CG2-CB 4.36Å; T92-V132 HydrophobicContact CG2-CG2 3.91Å; T92-V157 WeakPolarHBondContact O-CA 3.41Å; T92-N158 PolarHBondContact N-O 2.65Å; T92-N158 PolarHBondContact O-N 3.07Å; T92-N158 WeakPolarHBondContact OG1-CB 3.21Å; T92-V160 HydrophobicContact CG2-CG2 4.45Å
93V89.5Confident93.6Very high31 Ų3144 Ų4419%0.18823%0.225CC..EExtended strand (participates in β ladder)trans-129.8114.9173.9-1770000106.2R91 N95 L96 V157R91-V93 HydrophobicContact CG-CG2 4.39Å; V93-N95 PolarHBondContact O-N 3.18Å; V93-L96 PolarHBondContact N-O 3.46Å; V93-L96 WeakPolarHBondContact O-CA 3.36Å; V93-L96 VanDerWaalsContact O-CB 3.29Å; V93-L96 WeakPolarHBondContact O-CB 3.36Å; V93-L96 PolarHBondContact O-N 3.18Å; V93-V157 HydrophobicContact CG1-CG2 4.32Å; V93-V157 HydrophobicContact CG2-CG1 4.32Å; V93-V157 HydrophobicContact CG2-CG2 4.25Å
94D86Confident93.7Very high66 Ų6647 Ų4735%0.35325%0.247SC..THydrogen-bonded Turntrans54.5-120.5-172.6-61-57.7000111.6P129 T155D94-P129 VanDerWaalsContact O-CG 3.3Å; D94-P129 WeakPolarHBondContact O-CG 3.29Å; D94-T155 WeakPolarHBondContact OD1-CA 3.37Å; D94-T155 WeakPolarHBondContact OD1-CB 3.46Å; D94-T155 WeakPolarHBondContact OD1-CG2 3.28Å; D94-T155 PolarHBondContact OD1-OG1 3.42Å
95N85.6Confident93.8Very high69 Ų6951 Ų5137%0.36926%0.262SS..THydrogen-bonded Turntrans-96.817.5175.569.4-41.4000112.9V93 L123V93-N95 PolarHBondContact O-N 3.18Å; N95-L123 WeakPolarHBondContact O-CB 3.24Å; N95-L123 PolarHBondContact O-N 2.72Å
96L90.5Very high93.7Very high24 Ų2452.7 Ų52.713%0.12626%0.261CS..EExtended strand (participates in β ladder)trans-107.3132.9-179.7-56179.5000110.3P11 T92 V93 E98 T120 Y121 V122P11-L96 HydrophobicContact CB-CD2 3.85Å; P11-L96 HydrophobicContact CG-CD1 3.98Å; P11-L96 HydrophobicContact CG-CD2 4.19Å; T92-L96 CarbonylContact C-O 3.44Å; T92-L96 WeakPolarHBondContact CA-O 3.33Å; V93-L96 PolarHBondContact N-O 3.46Å; V93-L96 WeakPolarHBondContact O-CA 3.36Å; V93-L96 VanDerWaalsContact O-CB 3.29Å; V93-L96 WeakPolarHBondContact O-CB 3.36Å; V93-L96 PolarHBondContact O-N 3.18Å; L96-E98 HydrophobicContact CB-CG 4.5Å; L96-T120 HydrophobicContact CB-CG2 3.85Å; L96-T120 HydrophobicContact CD1-CG2 4.19Å; L96-T120 HydrophobicContact CD2-CG2 4.02Å; L96-T120 HydrophobicContact CG-CG2 4.24Å; L96-Y121 CarbonylContact C-O 3.6Å; L96-Y121 WeakPolarHBondContact CA-O 3.05Å; L96-V122 HydrophobicContact CD2-CG2 4.06Å
97L92.1Very high93.6Very high0 Ų052.9 Ų52.90%026%0.262CS..EExtended strand (participates in β ladder)trans-103.7109.4167.8171.760.1000108.5F74 V90 T92 T120 Y121 L123 V132 L144F74-L97 HydrophobicContact CE1-CD2 3.75Å; F74-L97 HydrophobicContact CZ-CD2 4.18Å; V90-L97 HydrophobicContact CG1-CD1 3.58Å; T92-L97 HydrophobicContact CG2-CB 4.46Å; T92-L97 HydrophobicContact CG2-CD1 3.88Å; L97-T120 CarbonylContact O-C 3.55Å; L97-T120 WeakPolarHBondContact O-CA 3.19Å; L97-Y121 HydrophobicContact CG-CD2 4.49Å; L97-Y121 PolarHBondContact N-O 2.97Å; L97-Y121 PolarHBondContact O-N 3.19Å; L97-L123 HydrophobicContact CB-CD1 4.27Å; L97-L123 HydrophobicContact CB-CD2 3.86Å; L97-L123 HydrophobicContact CB-CG 3.97Å; L97-L123 HydrophobicContact CD2-CD2 4.17Å; L97-V132 HydrophobicContact CD1-CG1 4.04Å; L97-V132 HydrophobicContact CD2-CG1 4.37Å; L97-L144 HydrophobicContact CD2-CB 4.16Å; L97-L144 HydrophobicContact CD2-CD1 3.93Å; L97-L144 HydrophobicContact CD2-CG 4.49Å; L97-L144 HydrophobicContact CG-CD1 4.45Å
98E94.2Very high93.1Very high35 Ų3554 Ų5416%0.16427%0.269CS..EExtended strand (participates in β ladder)trans-103.8131.2-177.9-62-173.5165.300110.7V90 R91 L96 T120V90-E98 WeakPolarHBondContact CA-O 3.29Å; R91-E98 HydrophobicContact CG-CB 3.97Å; R91-E98 IonicContact CZ-OE2 3.1Å; R91-E98 PolarHBondContact N-O 2.96Å; R91-E98 IonicContact NE-OE2 3.18Å; R91-E98 PolarHBondContact NE-OE2 3.25Å; R91-E98 IonicContact NH2-OE2 3.3Å; R91-E98 PolarHBondContact NH2-OE2 2.66Å; R91-E98 PolarHBondContact O-N 3.35Å; L96-E98 HydrophobicContact CB-CG 4.5Å; E98-T120 HydrophobicContact CG-CG2 3.95Å
99V95.3Very high92.5Very high0 Ų064.6 Ų64.60%031%0.307CS..EExtended strand (participates in β ladder)trans-120.8118.6173.6-174.30000107.6L78 V88 T89 V90 F117 C118 R119 L142 L144L78-V99 HydrophobicContact CD1-CB 3.91Å; L78-V99 HydrophobicContact CD1-CG1 3.8Å; L78-V99 HydrophobicContact CD1-CG2 3.69Å; V88-V99 HydrophobicContact CG1-CG1 4.18Å; T89-V99 WeakPolarHBondContact O-CA 3.35Å; V90-V99 HydrophobicContact CG2-CG1 4.39Å; V90-V99 HydrophobicContact CG2-CG2 4.34Å; V99-F117 HydrophobicContact CB-CE2 4.42Å; V99-F117 HydrophobicContact CG1-CE2 4.04Å; V99-F117 HydrophobicContact CG1-CZ 3.91Å; V99-C118 CarbonylContact O-C 3.53Å; V99-C118 WeakPolarHBondContact O-CA 3.25Å; V99-R119 PolarHBondContact N-O 3.49Å; V99-R119 PolarHBondContact O-N 3.14Å; V99-L142 HydrophobicContact CG1-CD2 3.85Å; V99-L144 HydrophobicContact CG2-CD1 3.62Å
100S95.7Very high91.9Very high50 Ų5067 Ų6735%0.3531%0.313SS..EExtended strand (participates in β ladder)trans-114.6140.3171.954.30000109.5V88 T89 F117V88-S100 CarbonylContact C-O 3.56Å; V88-S100 WeakPolarHBondContact CA-O 3.39Å; T89-S100 PolarHBondContact N-O 3.01Å; T89-S100 PolarHBondContact O-N 2.74Å; S100-F117 WeakPolarHBondContact CA-O 3.28Å
101A95.3Very high91.5Very high2 Ų268.1 Ų68.12%0.01733%0.325CS..EExtended strand (participates in β ladder)trans-140.8140.5165.700000111.4F83 E87 V88 E116 F117F83-A101 HydrophobicContact CB-CB 4.24Å; F83-A101 HydrophobicContact CD1-CB 3.55Å; F83-A101 HydrophobicContact CD2-CB 3.84Å; F83-A101 HydrophobicContact CE1-CB 3.76Å; F83-A101 HydrophobicContact CE2-CB 4.05Å; F83-A101 HydrophobicContact CG-CB 3.59Å; F83-A101 HydrophobicContact CZ-CB 4Å; E87-A101 WeakPolarHBondContact O-CA 3.04Å; E87-A101 WeakPolarHBondContact O-CB 3.48Å; V88-A101 HydrophobicContact CB-CB 4.38Å; V88-A101 HydrophobicContact CG1-CB 4.49Å; V88-A101 HydrophobicContact CG2-CB 3.9Å; A101-E116 CarbonylContact O-C 3.56Å; A101-E116 VanDerWaalsContact O-CA 3.29Å; A101-E116 WeakPolarHBondContact O-CA 3.11Å; A101-F117 HydrophobicContact CB-CD1 3.69Å; A101-F117 HydrophobicContact CB-CE1 3.26Å; A101-F117 HydrophobicContact CB-CZ 4.03Å; A101-F117 PolarHBondContact N-O 2.59Å; A101-F117 PolarHBondContact O-N 3.41Å
102R96.3Very high91.3Very high166 Ų16669.7 Ų69.763%0.62634%0.335SS*.EExtended strand (participates in β ladder)trans-148.9130.3-177.5-178177.1175-176.2-2.7111.3E87 R115 E116E87-R102 WeakPolarHBondContact CB-O 3.29Å; E87-R102 PolarHBondContact O-N 2.9Å; E87-R102 VanDerWaalsContact O-N 3.11Å; R102-R115 WeakPolarHBondContact CA-O 3.11Å; R102-E116 HydrophobicContact CB-CB 4.43Å; R102-E116 HydrophobicContact CB-CG 4.2Å; R102-E116 HydrophobicContact CG-CB 4.17Å; R102-E116 HydrophobicContact CG-CG 4.19Å; R102-E116 IonicContact NE-OE2 3.23Å
103H95Very high91.3Very high4 Ų470.6 Ų70.62%0.01934%0.341CS..EExtended strand (participates in β ladder)trans-125.5143.9168.875.974.1000111.1H82 F83 E87 V113 R115H82-H103 PolarHBondContact O-CD2 2.81Å; H82-H103 VanDerWaalsContact O-CD2 3.24Å; F83-H103 HydrophobicContact CD1-CB 4.28Å; F83-H103 AromaticContact CD1-CD2 3.77Å; F83-H103 AromaticContact CE1-CD2 3.68Å; E87-H103 HydrophobicContact CG-CB 4.48Å; E87-H103 WeakPolarHBondContact OE1-CA 3.4Å; E87-H103 WeakPolarHBondContact OE1-CB 3.37Å; E87-H103 WeakPolarHBondContact OE2-CB 3.47Å; H103-V113 PolarHBondContact CE1-O 2.76Å; H103-R115 PolarHBondContact CE1-N 2.91Å; H103-R115 PolarHBondContact N-O 3.11Å; H103-R115 WeakPolarHBondContact NE2-CB 3.4Å; H103-R115 VanDerWaalsContact NE2-CG 3.34Å; H103-R115 WeakPolarHBondContact NE2-CG 3.43Å; H103-R115 PolarHBondContact NE2-NH1 2.75Å; H103-R115 PolarHBondContact O-N 2.95Å
104P95.1Very high91.5Very high87 Ų8773 Ų7357%0.56536%0.359SS*.EExtended strand (participates in β ladder)trans-69.4-178.7175.132-36.3000111.2R106P104-R106 PolarHBondContact O-N 2.9Å; P104-R106 VanDerWaalsContact O-N 3.14Å
105Q95.2Very high91.9Very high132 Ų13271.7 Ų71.762%0.61735%0.349SS*.EExtended strand (participates in β ladder)trans-59.6118.1177.9-169.7173.8-900111.1F112 V113Q105-F112 HydrophobicContact CG-CB 3.56Å; Q105-F112 HydrophobicContact CG-CD1 4.02Å; Q105-F112 HydrophobicContact CG-CG 4.12Å; Q105-F112 VanDerWaalsContact NE2-CG 3.29Å; Q105-V113 WeakPolarHBondContact CA-O 3.37Å
106R92.7Very high92.3Very high88 Ų8875.1 Ų75.133%0.33236%0.363SS..EExtended strand (participates in β ladder)trans-118.5150.9175.7-70174173.5170-9.8109.5E87 P104 F112 V113E87-R106 IonicContact OE1-CZ 3.15Å; E87-R106 IonicContact OE1-NE 3.85Å; E87-R106 IonicContact OE1-NH1 3.1Å; E87-R106 PolarHBondContact OE1-NH1 2.84Å; E87-R106 IonicContact OE1-NH2 3.96Å; E87-R106 PolarHBondContact OE1-NH2 3.46Å; E87-R106 IonicContact OE2-CZ 3.63Å; E87-R106 VanDerWaalsContact OE2-CZ 3.27Å; E87-R106 IonicContact OE2-NH1 3.49Å; E87-R106 PolarHBondContact OE2-NH1 3.16Å; E87-R106 IonicContact OE2-NH2 2.87Å; E87-R106 PolarHBondContact OE2-NH2 2.63Å; E87-R106 VanDerWaalsContact OE2-NH2 3.1Å; P104-R106 PolarHBondContact O-N 2.9Å; P104-R106 VanDerWaalsContact O-N 3.14Å; R106-F112 CarbonylContact O-C 3.52Å; R106-F112 VanDerWaalsContact O-CA 3.28Å; R106-F112 WeakPolarHBondContact O-CA 3.38Å; R106-V113 PolarHBondContact N-O 2.99Å; R106-V113 PolarHBondContact O-N 2.97Å
107L91.6Very high92.3Very high136 Ų13676.2 Ų76.271%0.71237%0.367SS*.EExtended strand (participates in β ladder)trans-70.7134.8171.7-172.477.2000109.2G111 F112L107-G111 CarbonylContact C-O 3.56Å; L107-G111 WeakPolarHBondContact CA-O 3.38Å; L107-G111 VanDerWaalsContact CD1-O 3.28Å; L107-G111 WeakPolarHBondContact CD1-O 3.26Å; L107-F112 HydrophobicContact CB-CD1 4.45Å; L107-F112 HydrophobicContact CB-CE1 4.36Å; L107-F112 HydrophobicContact CD1-CD1 4.25Å; L107-F112 HydrophobicContact CD1-CE1 3.91Å; L107-F112 HydrophobicContact CD1-CE2 4.39Å; L107-F112 HydrophobicContact CD1-CZ 3.98Å
108D87.2Confident92.3Very high47 Ų4780.6 Ų80.625%0.25140%0.397SS..EExtended strand (participates in β ladder)trans-130.9-172.6171.178.22.3000111.3H110 G111 V113D108-H110 PolarHBondContact O-N 3.15Å; D108-H110 WeakPolarHBondContact OD1-CA 3.11Å; D108-H110 PolarHBondContact OD1-N 3.43Å; D108-G111 PolarHBondContact N-O 3.01Å; D108-G111 PolarHBondContact O-N 3.08Å; D108-G111 PolarHBondContact OD1-N 2.93Å; D108-V113 HydrophobicContact CB-CG1 3.83Å; D108-V113 VanDerWaalsContact OD2-CG1 3.3Å; D108-V113 WeakPolarHBondContact OD2-CG1 3.42Å
109R84.1Confident92.1Very high231 Ų23181.3 Ų81.387%0.87240%0.398SS*.THydrogen-bonded Turntrans-61.5-23.7-179.7-174.6178.3179.1-173.20113.8
110H84Confident91.9Very high128 Ų12884.5 Ų84.559%0.59342%0.417SS*.THydrogen-bonded Turntrans-109.9-4.3-172.3-60.6-74.8000113.2G32 D108G32-H110 WeakPolarHBondContact CA-NE2 2.97Å; D108-H110 PolarHBondContact O-N 3.15Å; D108-H110 WeakPolarHBondContact OD1-CA 3.11Å; D108-H110 PolarHBondContact OD1-N 3.43Å
111G89.1Confident91.6Very high26 Ų2682.9 Ų82.927%0.26840%0.404SS..EExtended strand (participates in β ladder)trans139.1-113.7179.500000109.4L107 D108L107-G111 CarbonylContact C-O 3.56Å; L107-G111 WeakPolarHBondContact CA-O 3.38Å; L107-G111 VanDerWaalsContact CD1-O 3.28Å; L107-G111 WeakPolarHBondContact CD1-O 3.26Å; D108-G111 PolarHBondContact N-O 3.01Å; D108-G111 PolarHBondContact O-N 3.08Å; D108-G111 PolarHBondContact OD1-N 2.93Å
112F91.9Very high91.2Very high141 Ų14186 Ų8662%0.61842%0.422SS*.EExtended strand (participates in β ladder)trans-126.5142.4-179.3-64.9-87.4000111.6Q105 R106 L107Q105-F112 HydrophobicContact CG-CB 3.56Å; Q105-F112 HydrophobicContact CG-CD1 4.02Å; Q105-F112 HydrophobicContact CG-CG 4.12Å; Q105-F112 VanDerWaalsContact NE2-CG 3.29Å; R106-F112 CarbonylContact O-C 3.52Å; R106-F112 VanDerWaalsContact O-CA 3.28Å; R106-F112 WeakPolarHBondContact O-CA 3.38Å; L107-F112 HydrophobicContact CB-CD1 4.45Å; L107-F112 HydrophobicContact CB-CE1 4.36Å; L107-F112 HydrophobicContact CD1-CD1 4.25Å; L107-F112 HydrophobicContact CD1-CE1 3.91Å; L107-F112 HydrophobicContact CD1-CE2 4.39Å; L107-F112 HydrophobicContact CD1-CZ 3.98Å
113V91.8Very high90.8Very high19 Ų1978.2 Ų78.212%0.11539%0.393CS..EExtended strand (participates in β ladder)trans-141.2136.8-177.263.50000111.1H103 Q105 R106 D108 R115H103-V113 PolarHBondContact CE1-O 2.76Å; Q105-V113 WeakPolarHBondContact CA-O 3.37Å; R106-V113 PolarHBondContact N-O 2.99Å; R106-V113 PolarHBondContact O-N 2.97Å; D108-V113 HydrophobicContact CB-CG1 3.83Å; D108-V113 VanDerWaalsContact OD2-CG1 3.3Å; D108-V113 WeakPolarHBondContact OD2-CG1 3.42Å; V113-R115 HydrophobicContact CG2-CG 4.05Å; V113-R115 VanDerWaalsContact CG2-CZ 3.5Å
114S93.8Very high90.4Very high82 Ų8278.4 Ų78.457%0.57340%0.395SS*.EExtended strand (participates in β ladder)trans-118.2137.2166.557.30000108
115R93Very high89.8Confident39 Ų3978.5 Ų78.515%0.14740%0.403CS..EExtended strand (participates in β ladder)trans-124.1142.7177.6-60179.6177.279.43.5110.1F29 G30 F83 R102 H103 V113F29-R115 PolarHBondContact O-NE 3.42Å; F29-R115 VanDerWaalsContact O-NE 3.16Å; G30-R115 PolarHBondContact O-NH2 2.97Å; F83-R115 HydrophobicContact CE1-CB 3.9Å; F83-R115 HydrophobicContact CZ-CB 3.63Å; R102-R115 WeakPolarHBondContact CA-O 3.11Å; H103-R115 PolarHBondContact CE1-N 2.91Å; H103-R115 PolarHBondContact N-O 3.11Å; H103-R115 WeakPolarHBondContact NE2-CB 3.4Å; H103-R115 VanDerWaalsContact NE2-CG 3.34Å; H103-R115 WeakPolarHBondContact NE2-CG 3.43Å; H103-R115 PolarHBondContact NE2-NH1 2.75Å; H103-R115 PolarHBondContact O-N 2.95Å; V113-R115 HydrophobicContact CG2-CG 4.05Å; V113-R115 VanDerWaalsContact CG2-CZ 3.5Å
116E94.3Very high89.3Confident140 Ų14074.7 Ų74.765%0.65439%0.387SS*.EExtended strand (participates in β ladder)trans-144130171.4-178.4168.4-160.800107.4A101 R102A101-E116 CarbonylContact O-C 3.56Å; A101-E116 VanDerWaalsContact O-CA 3.29Å; A101-E116 WeakPolarHBondContact O-CA 3.11Å; R102-E116 HydrophobicContact CB-CB 4.43Å; R102-E116 HydrophobicContact CB-CG 4.2Å; R102-E116 HydrophobicContact CG-CB 4.17Å; R102-E116 HydrophobicContact CG-CG 4.19Å; R102-E116 IonicContact NE-OE2 3.23Å
117F91Very high89Confident47 Ų4771 Ų7121%0.20637%0.374CS..EExtended strand (participates in β ladder)trans-136149.3169.187.5-91.3000110.3V80 F83 V99 S100 A101 R119V80-F117 HydrophobicContact CG1-CE1 3.85Å; V80-F117 HydrophobicContact CG1-CZ 3.68Å; F83-F117 HydrophobicContact CD2-CD1 4.32Å; F83-F117 HydrophobicContact CD2-CE1 4.03Å; F83-F117 AromaticContact CE2-CD1 3.5Å; F83-F117 HydrophobicContact CE2-CD1 3.5Å; F83-F117 VanDerWaalsContact CE2-CD1 3.5Å; F83-F117 AromaticContact CE2-CE1 3.65Å; F83-F117 HydrophobicContact CE2-CE1 3.65Å; F83-F117 AromaticContact CZ-CD1 3.67Å; F83-F117 HydrophobicContact CZ-CD1 3.67Å; F83-F117 HydrophobicContact CZ-CE1 4.2Å; V99-F117 HydrophobicContact CB-CE2 4.42Å; V99-F117 HydrophobicContact CG1-CE2 4.04Å; V99-F117 HydrophobicContact CG1-CZ 3.91Å; S100-F117 WeakPolarHBondContact CA-O 3.28Å; A101-F117 HydrophobicContact CB-CD1 3.69Å; A101-F117 HydrophobicContact CB-CE1 3.26Å; A101-F117 HydrophobicContact CB-CZ 4.03Å; A101-F117 PolarHBondContact N-O 2.59Å; A101-F117 PolarHBondContact O-N 3.41Å; F117-R119 HydrophobicContact CD2-CB 4.13Å; F117-R119 HydrophobicContact CE2-CB 4.04Å
118C92.3Very high88.8Confident93 Ų9365.6 Ų65.663%0.62835%0.346SS*.EExtended strand (participates in β ladder)trans-130.5130.9168.5-1760000107.6V99V99-C118 CarbonylContact O-C 3.53Å; V99-C118 WeakPolarHBondContact O-CA 3.25Å
119R90.5Very high88.9Confident49 Ų4964.3 Ų64.319%0.18534%0.34CS..EExtended strand (participates in β ladder)trans-133.8126.7178.2-172.6151.1176.4-161.21.1110.1S65 V99 F117 Y121S65-R119 PolarHBondContact OG-NH1 2.76Å; V99-R119 PolarHBondContact N-O 3.49Å; V99-R119 PolarHBondContact O-N 3.14Å; F117-R119 HydrophobicContact CD2-CB 4.13Å; F117-R119 HydrophobicContact CE2-CB 4.04Å; R119-Y121 HydrophobicContact CG-CE2 3.96Å; R119-Y121 PolarHBondContact NE-OH 3.11Å; R119-Y121 PolarHBondContact NH1-OH 3.1Å; R119-Y121 PolarHBondContact NH2-OH 3.44Å
120T90.4Very high89.1Confident68 Ų6859 Ų5942%0.41732%0.32SS..EExtended strand (participates in β ladder)trans-114.6130.2179.5-52.70000109.4L96 L97 E98L96-T120 HydrophobicContact CB-CG2 3.85Å; L96-T120 HydrophobicContact CD1-CG2 4.19Å; L96-T120 HydrophobicContact CD2-CG2 4.02Å; L96-T120 HydrophobicContact CG-CG2 4.24Å; L97-T120 CarbonylContact O-C 3.55Å; L97-T120 WeakPolarHBondContact O-CA 3.19Å; E98-T120 HydrophobicContact CG-CG2 3.95Å
121Y89.1Confident89.4Confident16 Ų1658.5 Ų58.56%0.06331%0.313CS..EExtended strand (participates in β ladder)trans-107.9140.3169.4-61.5-85.2000109.3L67 A76 L78 L96 L97 R119 L123 L144L67-Y121 HydrophobicContact CD1-CD1 4.24Å; L67-Y121 HydrophobicContact CD1-CE1 4.38Å; A76-Y121 HydrophobicContact CB-CE1 4.39Å; A76-Y121 HydrophobicContact CB-CE2 4.35Å; L78-Y121 HydrophobicContact CD1-CE2 4.14Å; L78-Y121 HydrophobicContact CD2-CE2 4.39Å; L78-Y121 WeakPolarHBondContact CD2-OH 3.22Å; L78-Y121 HydrophobicContact CG-CE2 4.47Å; L96-Y121 CarbonylContact C-O 3.6Å; L96-Y121 WeakPolarHBondContact CA-O 3.05Å; L97-Y121 HydrophobicContact CG-CD2 4.49Å; L97-Y121 PolarHBondContact N-O 2.97Å; L97-Y121 PolarHBondContact O-N 3.19Å; R119-Y121 HydrophobicContact CG-CE2 3.96Å; R119-Y121 PolarHBondContact NE-OH 3.11Å; R119-Y121 PolarHBondContact NH1-OH 3.1Å; R119-Y121 PolarHBondContact NH2-OH 3.44Å; Y121-L123 PolarHBondContact O-N 3.36Å; Y121-L144 HydrophobicContact CE2-CD1 4.48Å
122V87.8Confident89.6Confident66 Ų6657.8 Ų57.840%0.430%0.303SS..EExtended strand (participates in β ladder)trans-81.4117.9165.9-1760000107.1L96L96-V122 HydrophobicContact CD2-CG2 4.06Å
123L87.1Confident89.8Confident4 Ų460.2 Ų60.22%0.02131%0.308CS..PPolyproline II helixtrans-70.8133.4172-66.6176.3000108.8F74 T92 N95 L97 Y121 V127 P129 V132F74-L123 HydrophobicContact CD1-CD2 4.17Å; F74-L123 HydrophobicContact CD2-CD2 4.42Å; F74-L123 HydrophobicContact CE1-CD2 3.93Å; F74-L123 HydrophobicContact CE2-CD2 4.17Å; F74-L123 HydrophobicContact CG-CD2 4.42Å; F74-L123 HydrophobicContact CZ-CD2 3.94Å; T92-L123 HydrophobicContact CG2-CD1 4.15Å; N95-L123 WeakPolarHBondContact O-CB 3.24Å; N95-L123 PolarHBondContact O-N 2.72Å; L97-L123 HydrophobicContact CB-CD1 4.27Å; L97-L123 HydrophobicContact CB-CD2 3.86Å; L97-L123 HydrophobicContact CB-CG 3.97Å; L97-L123 HydrophobicContact CD2-CD2 4.17Å; Y121-L123 PolarHBondContact O-N 3.36Å; L123-V127 HydrophobicContact CB-CB 4.42Å; L123-V127 HydrophobicContact CD1-CG1 4.42Å; L123-V127 HydrophobicContact CD2-CG1 4.18Å; L123-P129 HydrophobicContact CD1-CB 4.24Å; L123-P129 HydrophobicContact CD1-CG 4.24Å; L123-V132 HydrophobicContact CD1-CG2 4.31Å
124P86Confident90Very high8 Ų859.5 Ų59.55%0.05230%0.304CS..PPolyproline II helixtrans-53.4148.5169.7-26.534.8000111.6L69 F74 D126 V127L69-P124 HydrophobicContact CD2-CG 3.95Å; F74-P124 HydrophobicContact CD2-CG 4.14Å; P124-D126 WeakPolarHBondContact CB-OD1 2.97Å; P124-D126 PolarHBondContact O-N 2.93Å; P124-V127 HydrophobicContact CB-CG2 4.1Å; P124-V127 HydrophobicContact CG-CG2 4.16Å; P124-V127 WeakPolarHBondContact O-CB 3.46Å; P124-V127 PolarHBondContact O-N 3.37Å
125A82.7Confident90.1Very high89 Ų8956.3 Ų56.374%0.73628%0.283SS*.THydrogen-bonded Turntrans-62.2-15.8-176.200000114.5
126D84.2Confident90.2Very high52 Ų5254.9 Ų54.928%0.27828%0.278SS..THydrogen-bonded Turntrans-95.42.9177.464.4-34.7000113.9P124 R148 G149 G150P124-D126 WeakPolarHBondContact CB-OD1 2.97Å; P124-D126 PolarHBondContact O-N 2.93Å; D126-R148 IonicContact OD1-CZ 3.08Å; D126-R148 IonicContact OD1-NE 3.86Å; D126-R148 PolarHBondContact OD1-NE 2.9Å; D126-R148 IonicContact OD1-NH2 3.41Å; D126-R148 PolarHBondContact OD1-NH2 2.98Å; D126-R148 WeakPolarHBondContact OD2-CB 3.41Å; D126-R148 IonicContact OD2-CZ 2.91Å; D126-R148 IonicContact OD2-NE 2.73Å; D126-R148 PolarHBondContact OD2-NE 2.89Å; D126-R148 IonicContact OD2-NH2 3.1Å; D126-R148 PolarHBondContact OD2-NH2 3.27Å; D126-G149 PolarHBondContact O-N 3.33Å; D126-G150 PolarHBondContact O-N 2.84Å
127V87.7Confident90.1Very high10 Ų1049.3 Ų49.36%0.06126%0.255CS..BIsolated β-bridgetrans-95.6130.6175.9174.90000110.2F74 L123 P124 P129 A146 R148F74-V127 HydrophobicContact CB-CG2 3.83Å; L123-V127 HydrophobicContact CB-CB 4.42Å; L123-V127 HydrophobicContact CD1-CG1 4.42Å; L123-V127 HydrophobicContact CD2-CG1 4.18Å; P124-V127 HydrophobicContact CB-CG2 4.1Å; P124-V127 HydrophobicContact CG-CG2 4.16Å; P124-V127 WeakPolarHBondContact O-CB 3.46Å; P124-V127 PolarHBondContact O-N 3.37Å; V127-P129 WeakPolarHBondContact O-CD 3.36Å; V127-A146 HydrophobicContact CG1-CB 3.48Å; V127-A146 VanDerWaalsContact CG1-CB 3.48Å; V127-R148 HydrophobicContact CG2-CG 3.68Å
128D86.6Confident89.9Confident22 Ų2252.7 Ų52.712%0.11827%0.271CS..  trans-84.4116.5171.6179.6-1.5000110W130 R131D128-W130 PolarHBondContact O-N 3.24Å; D128-W130 WeakPolarHBondContact OD1-CB 3.49Å; D128-W130 PolarHBondContact OD1-N 3.47Å; D128-R131 HydrophobicContact CB-CB 4.27Å; D128-R131 HydrophobicContact CB-CG 4.04Å; D128-R131 PolarHBondContact O-N 3.18Å; D128-R131 VanDerWaalsContact OD2-CD 3.31Å; D128-R131 WeakPolarHBondContact OD2-CD 3.48Å; D128-R131 WeakPolarHBondContact OD2-CG 3.13Å
129P88.8Confident89.6Confident21 Ų2152.6 Ų52.614%0.13626%0.264CS..G310 helixtrans-57.9-29.4179.6-23.433.9000113.9T92 D94 L123 V127 R131 V132 N158T92-P129 HydrophobicContact CG2-CB 4.09Å; D94-P129 VanDerWaalsContact O-CG 3.3Å; D94-P129 WeakPolarHBondContact O-CG 3.29Å; L123-P129 HydrophobicContact CD1-CB 4.24Å; L123-P129 HydrophobicContact CD1-CG 4.24Å; V127-P129 WeakPolarHBondContact O-CD 3.36Å; P129-R131 PolarHBondContact O-N 3.16Å; P129-V132 WeakPolarHBondContact O-CG2 3.4Å; P129-V132 PolarHBondContact O-N 2.93Å; P129-N158 PolarHBondContact O-ND2 2.9Å
130W88.6Confident89.6Confident118 Ų11850.8 Ų50.845%0.44726%0.261SS..G310 helixtrans-71.9-17.7178.6-70.597.7000113.5D128 E156 N158D128-W130 PolarHBondContact O-N 3.24Å; D128-W130 WeakPolarHBondContact OD1-CB 3.49Å; D128-W130 PolarHBondContact OD1-N 3.47Å; W130-E156 HydrophobicContact CZ2-CB 4.02Å; W130-E156 VanDerWaalsContact CZ2-OE2 3.22Å; W130-E156 WeakPolarHBondContact CZ2-OE2 3.3Å; W130-N158 HydrophobicContact CD2-CB 4.09Å; W130-N158 HydrophobicContact CE3-CB 3.84Å; W130-N158 HydrophobicContact CH2-CB 3.88Å; W130-N158 HydrophobicContact CZ2-CB 4.1Å; W130-N158 HydrophobicContact CZ3-CB 3.75Å; W130-N158 VanDerWaalsContact CZ3-CG 3.49Å; W130-N158 WeakPolarHBondContact CZ3-OD1 3.5Å
131R90.8Very high89.6Confident119 Ų11949.4 Ų49.445%0.44925%0.25SS..G310 helixtrans-97.75.1-179.5-61.9177.871.8-154.22.3112.7D128 P129 R133 P147D128-R131 HydrophobicContact CB-CB 4.27Å; D128-R131 HydrophobicContact CB-CG 4.04Å; D128-R131 PolarHBondContact O-N 3.18Å; D128-R131 VanDerWaalsContact OD2-CD 3.31Å; D128-R131 WeakPolarHBondContact OD2-CD 3.48Å; D128-R131 WeakPolarHBondContact OD2-CG 3.13Å; P129-R131 PolarHBondContact O-N 3.16Å; R131-R133 PolarHBondContact O-N 3.3Å; R131-P147 HydrophobicContact CB-CG 3.72Å; R131-P147 HydrophobicContact CG-CG 4.44Å; R131-P147 VanDerWaalsContact NE-CG 3.29Å; R131-P147 VanDerWaalsContact NH1-CG 3.3Å; R131-P147 WeakPolarHBondContact O-CD 3.22Å
132V93.4Very high89.8Confident10 Ų1048.6 Ų48.66%0.06125%0.247CC..  trans-65.2131.2171.6179.10000109.3T92 L97 L123 P129 E145 A146 V160T92-V132 HydrophobicContact CG2-CB 4.36Å; T92-V132 HydrophobicContact CG2-CG2 3.91Å; L97-V132 HydrophobicContact CD1-CG1 4.04Å; L97-V132 HydrophobicContact CD2-CG1 4.37Å; L123-V132 HydrophobicContact CD1-CG2 4.31Å; P129-V132 WeakPolarHBondContact O-CG2 3.4Å; P129-V132 PolarHBondContact O-N 2.93Å; V132-E145 CarbonylContact C-O 3.59Å; V132-E145 WeakPolarHBondContact CA-O 3.37Å; V132-A146 HydrophobicContact CB-CB 4.47Å; V132-A146 HydrophobicContact CG2-CB 3.86Å; V132-V160 HydrophobicContact CB-CG2 4.14Å; V132-V160 HydrophobicContact CG1-CG1 4.26Å; V132-V160 HydrophobicContact CG1-CG2 4.08Å
133R95.4Very high90.2Very high193 Ų19347.3 Ų47.373%0.72824%0.238SC*.EExtended strand (participates in β ladder)trans-120.7138.6174.3-64.6-179.1179.4-90.9-2.6109R131 L144 E145R131-R133 PolarHBondContact O-N 3.3Å; R133-L144 WeakPolarHBondContact O-CA 3.21Å; R133-E145 PolarHBondContact N-O 3.48Å; R133-E145 PolarHBondContact O-N 3.38Å
134A96.9Very high90.5Very high3 Ų347.1 Ų47.13%0.02524%0.237CC..EExtended strand (participates in β ladder)trans-116.3127.6175.600000109.6V90 L142 N143 L144 V160 I162 S163V90-A134 HydrophobicContact CG2-CB 4.28Å; A134-L142 HydrophobicContact CB-CD1 4.19Å; A134-N143 CarbonylContact C-O 3.56Å; A134-N143 WeakPolarHBondContact CA-O 3.12Å; A134-L144 HydrophobicContact CB-CD2 3.72Å; A134-V160 HydrophobicContact CB-CG1 3.74Å; A134-I162 HydrophobicContact CB-CB 4.42Å; A134-I162 HydrophobicContact CB-CG1 3.99Å; A134-S163 PolarHBondContact O-N 3.41Å; A134-S163 PolarHBondContact O-OG 2.98Å
135A96.2Very high90.9Very high16 Ų1650 Ų5013%0.13225%0.25CC..EExtended strand (participates in β ladder)trans-130128.3174.200000109.8N143 S163 L165A135-N143 PolarHBondContact N-O 3.15Å; A135-N143 PolarHBondContact O-N 2.85Å; A135-S163 CarbonylContact C-O 3.58Å; A135-S163 VanDerWaalsContact CA-O 3.27Å; A135-S163 WeakPolarHBondContact CA-O 3.5Å; A135-S163 WeakPolarHBondContact CB-OG 3.48Å; A135-L165 HydrophobicContact CB-CD1 4.33Å; A135-L165 HydrophobicContact CB-CD2 4.23Å; A135-L165 HydrophobicContact CB-CG 4.22Å
136L95.4Very high91.4Very high9 Ų945.8 Ų45.85%0.04722%0.215CC..EExtended strand (participates in β ladder)trans-105.9124.4178.8178.360.6000109.3V80 P85 L142 I162 S163 L164 L165V80-L136 HydrophobicContact CG2-CD1 3.5Å; P85-L136 HydrophobicContact CB-CD2 3.8Å; P85-L136 HydrophobicContact CG-CD2 3.73Å; L136-L142 HydrophobicContact CB-CD1 4.39Å; L136-L142 HydrophobicContact CD1-CB 4.21Å; L136-I162 HydrophobicContact CB-CG2 3.53Å; L136-S163 PolarHBondContact N-O 3.16Å; L136-L164 HydrophobicContact CB-CD2 4.17Å; L136-L164 HydrophobicContact CD2-CD2 4.06Å; L136-L164 HydrophobicContact CG-CD2 4.44Å; L136-L165 PolarHBondContact O-N 3.05Å
137S92.2Very high91.7Very high23 Ų2344.8 Ų44.816%0.16121%0.211CC..  trans-79.4159.9175630000112.4D139 G140 I141S137-D139 WeakPolarHBondContact CB-OD1 3.29Å; S137-D139 PolarHBondContact O-N 3.33Å; S137-D139 PolarHBondContact OG-OD1 2.95Å; S137-G140 PolarHBondContact O-N 2.8Å; S137-I141 PolarHBondContact N-O 3.1Å; S137-I141 WeakPolarHBondContact OG-CA 3.39Å; S137-I141 VanDerWaalsContact OG-CB 3.29Å; S137-I141 WeakPolarHBondContact OG-CB 3.36Å; S137-I141 PolarHBondContact OG-N 3.39Å; S137-I141 PolarHBondContact OG-O 3.14Å
138H86.9Confident91.6Very high118 Ų11847.5 Ų47.555%0.54622%0.22SC..THydrogen-bonded Turntrans-60.8-27.4178.474.2-75.4000113.5G140 A167 P168H138-G140 VanDerWaalsContact C-N 3.26Å; H138-G140 PolarHBondContact O-N 2.62Å; H138-A167 HydrophobicContact CB-CB 4.23Å; H138-P168 WeakPolarHBondContact CE1-CD 3.28Å; H138-P168 WeakPolarHBondContact ND1-CD 3.38Å
139D85.5Confident91.1Very high91 Ų9149.5 Ų49.549%0.48725%0.246SC..THydrogen-bonded Turntrans-85.67.317663.5-31.3000113.2S137S137-D139 WeakPolarHBondContact CB-OD1 3.29Å; S137-D139 PolarHBondContact O-N 3.33Å; S137-D139 PolarHBondContact OG-OD1 2.95Å
140G89.1Confident89.9Confident11 Ų1149.2 Ų49.211%0.11325%0.247CC..SBendtrans84.121.6172.800000114.7V80 S81 S137 H138V80-G140 CarbonylContact C-O 3.52Å; V80-G140 VanDerWaalsContact CG2-O 3.26Å; V80-G140 WeakPolarHBondContact CG2-O 3.39Å; V80-G140 PolarHBondContact N-O 3.33Å; S81-G140 PolarHBondContact N-O 3.11Å; S137-G140 PolarHBondContact O-N 2.8Å; H138-G140 VanDerWaalsContact C-N 3.26Å; H138-G140 PolarHBondContact O-N 2.62Å
141I91.3Very high88.5Confident38 Ų3854.8 Ų54.820%0.19527%0.268CS..EExtended strand (participates in β ladder)trans-96.8115.2175.2-51.2-58.5000110F77 L78 D79 S137F77-I141 HydrophobicContact CB-CG2 4.32Å; F77-I141 HydrophobicContact CD1-CG2 4.12Å; L78-I141 CarbonylContact O-C 3.45Å; L78-I141 WeakPolarHBondContact O-CA 3.34Å; D79-I141 HydrophobicContact CB-CD1 4.16Å; S137-I141 PolarHBondContact N-O 3.1Å; S137-I141 WeakPolarHBondContact OG-CA 3.39Å; S137-I141 VanDerWaalsContact OG-CB 3.29Å; S137-I141 WeakPolarHBondContact OG-CB 3.36Å; S137-I141 PolarHBondContact OG-N 3.39Å; S137-I141 PolarHBondContact OG-O 3.14Å
142L94.1Very high87Confident0 Ų053.7 Ų53.70%027%0.268CS..EExtended strand (participates in β ladder)trans-84.2116.3173.5177.769.3000109.8F77 L78 V80 V88 V90 V99 A134 L136 L144 I162F77-L142 CarbonylContact C-O 3.48Å; F77-L142 WeakPolarHBondContact CA-O 3.41Å; L78-L142 HydrophobicContact CB-CB 4.13Å; L78-L142 HydrophobicContact CD1-CD2 4.19Å; L78-L142 PolarHBondContact N-O 2.88Å; L78-L142 PolarHBondContact O-N 3.12Å; V80-L142 HydrophobicContact CG1-CB 4.34Å; V80-L142 HydrophobicContact CG2-CB 3.9Å; V88-L142 HydrophobicContact CG1-CD2 4.07Å; V90-L142 HydrophobicContact CG2-CD2 3.97Å; V99-L142 HydrophobicContact CG1-CD2 3.85Å; A134-L142 HydrophobicContact CB-CD1 4.19Å; L136-L142 HydrophobicContact CB-CD1 4.39Å; L136-L142 HydrophobicContact CD1-CB 4.21Å; L142-L144 HydrophobicContact CD1-CD2 4.35Å; L142-L144 HydrophobicContact CD2-CD1 4.39Å; L142-L144 HydrophobicContact CD2-CD2 4.14Å; L142-L144 HydrophobicContact CD2-CG 4.34Å; L142-L144 HydrophobicContact CG-CD2 4.12Å; L142-L144 HydrophobicContact CG-CG 4.19Å; L142-I162 HydrophobicContact CD1-CD1 4.42Å; L142-I162 HydrophobicContact CD1-CG1 4.48Å; L142-I162 HydrophobicContact CD1-CG2 3.99Å
143N94.6Very high85.3Confident38 Ų3860.2 Ų60.220%0.20330%0.301CS..EExtended strand (participates in β ladder)trans-98.2119.5172.9177.521.4000109.8Q75 F77 A134 A135Q75-N143 PolarHBondContact NE2-OD1 2.83Å; F77-N143 HydrophobicContact CD1-CB 4.13Å; F77-N143 HydrophobicContact CE1-CB 4.01Å; A134-N143 CarbonylContact C-O 3.56Å; A134-N143 WeakPolarHBondContact CA-O 3.12Å; A135-N143 PolarHBondContact N-O 3.15Å; A135-N143 PolarHBondContact O-N 2.85Å
144L95.2Very high83.7Confident0 Ų055.8 Ų55.80%029%0.292CS..EExtended strand (participates in β ladder)trans-108.9119.8175.7-59167000107.7Q75 A76 L78 V90 L97 V99 Y121 R133 A134 L142Q75-L144 CarbonylContact C-O 3.52Å; Q75-L144 WeakPolarHBondContact CA-O 3.49Å; A76-L144 HydrophobicContact CB-CB 4.25Å; A76-L144 HydrophobicContact CB-CD1 4.41Å; A76-L144 PolarHBondContact N-O 3.42Å; A76-L144 PolarHBondContact O-N 3.33Å; L78-L144 HydrophobicContact CD1-CD1 4.01Å; V90-L144 HydrophobicContact CG1-CD2 3.83Å; V90-L144 HydrophobicContact CG2-CD2 4.05Å; L97-L144 HydrophobicContact CD2-CB 4.16Å; L97-L144 HydrophobicContact CD2-CD1 3.93Å; L97-L144 HydrophobicContact CD2-CG 4.49Å; L97-L144 HydrophobicContact CG-CD1 4.45Å; V99-L144 HydrophobicContact CG2-CD1 3.62Å; Y121-L144 HydrophobicContact CE2-CD1 4.48Å; R133-L144 WeakPolarHBondContact O-CA 3.21Å; A134-L144 HydrophobicContact CB-CD2 3.72Å; L142-L144 HydrophobicContact CD1-CD2 4.35Å; L142-L144 HydrophobicContact CD2-CD1 4.39Å; L142-L144 HydrophobicContact CD2-CD2 4.14Å; L142-L144 HydrophobicContact CD2-CG 4.34Å; L142-L144 HydrophobicContact CG-CD2 4.12Å; L142-L144 HydrophobicContact CG-CG 4.19Å
145E94.5Very high81.9Confident69 Ų6961.2 Ų61.232%0.32233%0.325SS..EExtended strand (participates in β ladder)trans-128.7137.6-178.6174.8164.3148.500110.6K73 F74 V132 R133K73-E145 HydrophobicContact CD-CG 4.26Å; K73-E145 IonicContact NZ-OE1 2.59Å; K73-E145 IonicContact NZ-OE2 2.68Å; K73-E145 PolarHBondContact NZ-OE2 3.36Å; F74-E145 WeakPolarHBondContact O-CA 3.24Å; V132-E145 CarbonylContact C-O 3.59Å; V132-E145 WeakPolarHBondContact CA-O 3.37Å; R133-E145 PolarHBondContact N-O 3.48Å; R133-E145 PolarHBondContact O-N 3.38Å
146A92.1Very high81Confident0 Ų065.2 Ų65.20%034%0.341CS..EExtended strand (participates in β ladder)trans-142.4137.1169.800000111.2K73 F74 V127 V132K73-A146 CarbonylContact C-O 3.58Å; K73-A146 WeakPolarHBondContact CA-O 3.28Å; F74-A146 HydrophobicContact CB-CB 4.43Å; F74-A146 HydrophobicContact CD1-CB 4.43Å; F74-A146 PolarHBondContact N-O 2.68Å; F74-A146 PolarHBondContact O-N 3.49Å; V127-A146 HydrophobicContact CG1-CB 3.48Å; V127-A146 VanDerWaalsContact CG1-CB 3.48Å; V132-A146 HydrophobicContact CB-CB 4.47Å; V132-A146 HydrophobicContact CG2-CB 3.86Å
147P90.2Very high80.4Confident31 Ų3169.1 Ų69.120%0.20137%0.365CS..EExtended strand (participates in β ladder)trans-69.5142.2174.527.8-32.7000111.1R131R131-P147 HydrophobicContact CB-CG 3.72Å; R131-P147 HydrophobicContact CG-CG 4.44Å; R131-P147 VanDerWaalsContact NE-CG 3.29Å; R131-P147 VanDerWaalsContact NH1-CG 3.3Å; R131-P147 WeakPolarHBondContact O-CD 3.22Å
148R85.8Confident80.1Confident68 Ų6869.1 Ų69.126%0.25736%0.363SS..BIsolated β-bridgetrans-95.9142.5175.2-67.9178.374.8170.210.9110.3S70 G72 D126 V127S70-R148 WeakPolarHBondContact O-CD 3.41Å; S70-R148 PolarHBondContact O-NH1 2.47Å; G72-R148 PolarHBondContact O-N 2.66Å; D126-R148 IonicContact OD1-CZ 3.08Å; D126-R148 IonicContact OD1-NE 3.86Å; D126-R148 PolarHBondContact OD1-NE 2.9Å; D126-R148 IonicContact OD1-NH2 3.41Å; D126-R148 PolarHBondContact OD1-NH2 2.98Å; D126-R148 WeakPolarHBondContact OD2-CB 3.41Å; D126-R148 IonicContact OD2-CZ 2.91Å; D126-R148 IonicContact OD2-NE 2.73Å; D126-R148 PolarHBondContact OD2-NE 2.89Å; D126-R148 IonicContact OD2-NH2 3.1Å; D126-R148 PolarHBondContact OD2-NH2 3.27Å; V127-R148 HydrophobicContact CG2-CG 3.68Å
149G75.5Confident80.3Confident64 Ų6470 Ų7066%0.6637%0.368SS*.  trans109.413.8179.400000116.1D126D126-G149 PolarHBondContact O-N 3.33Å
150G64.3Low80.5Confident15 Ų1566.3 Ų66.316%0.15535%0.349CS..  trans-105.7111.8176.400000111.3D126 H152D126-G150 PolarHBondContact O-N 2.84Å; G150-H152 PolarHBondContact O-N 2.9Å
151R59.4Low80.6Confident234 Ų23475.3 Ų75.388%0.88338%0.38SS*.  trans-87.3102.9174.1-68.6176.683.51513.8109.4
152H58.5Low80.6Confident97 Ų9775.3 Ų75.345%0.44938%0.381SS..  trans-140.7114.9159.9-158.3-93.8000108.2G150 D154G150-H152 PolarHBondContact O-N 2.9Å; H152-D154 IonicContact CE1-OD2 3.31Å; H152-D154 PolarHBondContact CE1-OD2 3.12Å; H152-D154 IonicContact ND1-OD2 2.82Å; H152-D154 IonicContact NE2-OD2 2.68Å
153L58.6Low80.6Confident146 Ų14678.4 Ų78.476%0.76440%0.402SS*.  trans-12148.9-169.7-69.2174.1000111.3
154D60.9Low80.5Confident100 Ų10082.1 Ų82.154%0.53542%0.422SS..  trans-95.6131.2168.1-67.3-30.8000109.1H152 E156H152-D154 IonicContact CE1-OD2 3.31Å; H152-D154 PolarHBondContact CE1-OD2 3.12Å; H152-D154 IonicContact ND1-OD2 2.82Å; H152-D154 IonicContact NE2-OD2 2.68Å; D154-E156 HydrophobicContact CB-CG 4.43Å; D154-E156 PolarHBondContact O-N 2.84Å; D154-E156 VanDerWaalsContact O-N 3.08Å
155T60.3Low80.2Confident117 Ų11786.1 Ų86.172%0.71844%0.442SS*.  trans-68.499.5176.5-77.50000109.4D94D94-T155 WeakPolarHBondContact OD1-CA 3.37Å; D94-T155 WeakPolarHBondContact OD1-CB 3.46Å; D94-T155 WeakPolarHBondContact OD1-CG2 3.28Å; D94-T155 PolarHBondContact OD1-OG1 3.42Å
156E77.1Confident79.8Confident101 Ų10188.2 Ų88.247%0.47246%0.462SS..  trans-142.8150.7179.9-62.8-170.9153.700111.1W130 D154W130-E156 HydrophobicContact CZ2-CB 4.02Å; W130-E156 VanDerWaalsContact CZ2-OE2 3.22Å; W130-E156 WeakPolarHBondContact CZ2-OE2 3.3Å; D154-E156 HydrophobicContact CB-CG 4.43Å; D154-E156 PolarHBondContact O-N 2.84Å; D154-E156 VanDerWaalsContact O-N 3.08Å
157V82.2Confident79.5Confident90 Ų9091.4 Ų91.455%0.54549%0.489SS..EExtended strand (participates in β ladder)trans-91.9124.6173.1-179.60000107.8T92 V93T92-V157 WeakPolarHBondContact O-CA 3.41Å; V93-V157 HydrophobicContact CG1-CG2 4.32Å; V93-V157 HydrophobicContact CG2-CG1 4.32Å; V93-V157 HydrophobicContact CG2-CG2 4.25Å
158N86.7Confident79.1Confident23 Ų2393.7 Ų93.712%0.12350%0.503CS..EExtended strand (participates in β ladder)trans-122123.4176.7170.148.2000110.3R91 T92 P129 W130R91-N158 CarbonylContact C-O 3.59Å; R91-N158 VanDerWaalsContact CA-O 3.31Å; R91-N158 WeakPolarHBondContact CA-O 3.46Å; T92-N158 PolarHBondContact N-O 2.65Å; T92-N158 PolarHBondContact O-N 3.07Å; T92-N158 WeakPolarHBondContact OG1-CB 3.21Å; P129-N158 PolarHBondContact O-ND2 2.9Å; W130-N158 HydrophobicContact CD2-CB 4.09Å; W130-N158 HydrophobicContact CE3-CB 3.84Å; W130-N158 HydrophobicContact CH2-CB 3.88Å; W130-N158 HydrophobicContact CZ2-CB 4.1Å; W130-N158 HydrophobicContact CZ3-CB 3.75Å; W130-N158 VanDerWaalsContact CZ3-CG 3.49Å; W130-N158 WeakPolarHBondContact CZ3-OD1 3.5Å
159E90Very high78.8Confident137 Ų13794.2 Ų94.264%0.6452%0.516SS*.EExtended strand (participates in β ladder)trans-83.5126.3174.9-66.6-176.1172.300109.5
160V89.9Confident78.9Confident14 Ų1496.1 Ų96.19%0.08551%0.511CS..EExtended strand (participates in β ladder)trans-102.3114.7-178-177.30000109.1V90 T92 V132 A134V90-V160 HydrophobicContact CB-CB 4.07Å; V90-V160 HydrophobicContact CG1-CB 3.83Å; V90-V160 HydrophobicContact CG1-CG1 4.32Å; V90-V160 HydrophobicContact CG1-CG2 4.22Å; V90-V160 PolarHBondContact O-N 2.82Å; T92-V160 HydrophobicContact CG2-CG2 4.45Å; V132-V160 HydrophobicContact CB-CG2 4.14Å; V132-V160 HydrophobicContact CG1-CG1 4.26Å; V132-V160 HydrophobicContact CG1-CG2 4.08Å; A134-V160 HydrophobicContact CB-CG1 3.74Å
161Y90.9Very high79.4Confident199 Ų199100.3 Ų100.378%0.7854%0.535SS*.PPolyproline II helixtrans-69.8134.7174.8-63.5-74.3000111.5
162I92.3Very high79.8Confident39 Ų3997.1 Ų97.120%0.253%0.53CS..EExtended strand (participates in β ladder)trans-90.1117.1178.3-54.4174.8000109V88 V90 A134 L136 L142V88-I162 HydrophobicContact CB-CD1 3.87Å; V88-I162 HydrophobicContact CG1-CD1 3.73Å; V88-I162 WeakPolarHBondContact O-CD1 3.41Å; V90-I162 HydrophobicContact CG2-CD1 3.99Å; V90-I162 HydrophobicContact CG2-CG1 4.08Å; A134-I162 HydrophobicContact CB-CB 4.42Å; A134-I162 HydrophobicContact CB-CG1 3.99Å; L136-I162 HydrophobicContact CB-CG2 3.53Å; L142-I162 HydrophobicContact CD1-CD1 4.42Å; L142-I162 HydrophobicContact CD1-CG1 4.48Å; L142-I162 HydrophobicContact CD1-CG2 3.99Å
163S93.7Very high79.9Confident65 Ų6598 Ų9846%0.45554%0.535SS..EExtended strand (participates in β ladder)trans-84.5129.5172.260.70000111A134 A135 L136A134-S163 PolarHBondContact O-N 3.41Å; A134-S163 PolarHBondContact O-OG 2.98Å; A135-S163 CarbonylContact C-O 3.58Å; A135-S163 VanDerWaalsContact CA-O 3.27Å; A135-S163 WeakPolarHBondContact CA-O 3.5Å; A135-S163 WeakPolarHBondContact CB-OG 3.48Å; L136-S163 PolarHBondContact N-O 3.16Å
164L92.3Very high79.9Confident116 Ų11696.5 Ų96.561%0.60752%0.524SS*.EExtended strand (participates in β ladder)trans-79.7125173.5-56.8-177.3000110.2P85 L136P85-L164 HydrophobicContact CB-CD2 3.64Å; P85-L164 HydrophobicContact CG-CD1 4.36Å; P85-L164 HydrophobicContact CG-CD2 3.62Å; L136-L164 HydrophobicContact CB-CD2 4.17Å; L136-L164 HydrophobicContact CD2-CD2 4.06Å; L136-L164 HydrophobicContact CG-CD2 4.44Å
165L89.4Confident79.7Confident83 Ų8397.8 Ų97.844%0.43553%0.526SS..PPolyproline II helixtrans-80.6142.8174.2-61.6175.9000110.2A135 L136A135-L165 HydrophobicContact CB-CD1 4.33Å; A135-L165 HydrophobicContact CB-CD2 4.23Å; A135-L165 HydrophobicContact CB-CG 4.22Å; L136-L165 PolarHBondContact O-N 3.05Å
166P86.3Confident79.6Confident113 Ų11399 Ų9973%0.73452%0.524SS*.PPolyproline II helixtrans-62.3148.1175.227.8-34000110.5
167A85.2Confident78.6Confident68 Ų6899.7 Ų99.756%0.56253%0.529SS*.PPolyproline II helixtrans-63.8144.2167.400000109.3H138H138-A167 HydrophobicContact CB-CB 4.23Å
168P81.7Confident77.4Confident79 Ų7999.1 Ų99.151%0.51354%0.535SS..PPolyproline II helixtrans-59.5145.7168.527-32.7000109.6H138H138-P168 WeakPolarHBondContact CE1-CD 3.28Å; H138-P168 WeakPolarHBondContact ND1-CD 3.38Å
169P80.5Confident76.1Confident79 Ų79107.8 Ų107.851%0.51357%0.565SS.*PPolyproline II helixtrans-60.4143.4177.125.3-32.8000110.5E174P169-E174 HydrophobicContact CB-CG 4.3Å; P169-E174 HydrophobicContact CG-CG 4.39Å; P169-E174 WeakPolarHBondContact CG-OE1 3.41Å
170D76.7Confident74.6Confident104 Ų104106.5 Ų106.556%0.55657%0.567SS**PPolyproline II helixtrans-63.6130.4174.4-80.1-31.3000108.7E172 E173D170-E172 PolarHBondContact O-N 2.89Å; D170-E173 HydrophobicContact CB-CG 4.29Å; D170-E173 PolarHBondContact O-N 3.47Å
171P74Confident72.6Confident102 Ų102113.8 Ų113.866%0.66260%0.6SS**Hα-helixtrans-61.1-21-177.224.1-33.5000112.7
172E69Low70.8Confident168 Ų168113.9 Ų113.979%0.78563%0.625SS**Hα-helixtrans-75.6-30.4176.9-62-174.5177.800112.6D170D170-E172 PolarHBondContact O-N 2.89Å
173E60.3Low69.7Low116 Ų116117.6 Ų117.654%0.54265%0.646SS.*Hα-helixtrans-77.8-31.3179.7-68.1-171.1164.300112.2D170 E175 E176 I177D170-E173 HydrophobicContact CB-CG 4.29Å; D170-E173 PolarHBondContact O-N 3.47Å; E173-E175 VanDerWaalsContact C-N 3.34Å; E173-E175 PolarHBondContact O-N 2.8Å; E173-E176 PolarHBondContact O-N 3.2Å; E173-I177 WeakPolarHBondContact O-CG1 3.27Å; E173-I177 PolarHBondContact O-N 2.8Å; E173-I177 VanDerWaalsContact O-N 3.07Å
174E58.8Low68.4Low114 Ų114120.4 Ų120.453%0.53366%0.656SS.*Hα-helixtrans-65.6-35176.5-73-171.5166.400112.5P169 E176 A178P169-E174 HydrophobicContact CB-CG 4.3Å; P169-E174 HydrophobicContact CG-CG 4.39Å; P169-E174 WeakPolarHBondContact CG-OE1 3.41Å; E174-E176 VanDerWaalsContact C-N 3.34Å; E174-A178 WeakPolarHBondContact O-CB 3.27Å; E174-A178 PolarHBondContact O-N 3.04Å
175E57.5Low67.1Low126 Ų126120.6 Ų120.659%0.58966%0.659SS**Hα-helixtrans-68.8-31.3175.2-80.9-163.7-177.500112.7E173 R179E173-E175 VanDerWaalsContact C-N 3.34Å; E173-E175 PolarHBondContact O-N 2.8Å; E175-R179 VanDerWaalsContact O-CG 3.29Å; E175-R179 WeakPolarHBondContact O-CG 3.44Å; E175-R179 PolarHBondContact O-N 3.13Å
176E56.9Low65.8Low142 Ų142122.8 Ų122.866%0.66467%0.672SS**Hα-helixtrans-74.5-40.4176.7-164.3168.6-174.400111.2E173 E174 R179 V180E173-E176 PolarHBondContact O-N 3.2Å; E174-E176 VanDerWaalsContact C-N 3.34Å; E176-R179 PolarHBondContact O-N 2.96Å; E176-V180 WeakPolarHBondContact O-CG2 3.32Å; E176-V180 PolarHBondContact O-N 3.36Å
177I56.5Low64.5Low116 Ų116123.4 Ų123.460%0.59567%0.668SS**Hα-helixtrans-64.7-41.9175.9-62.1164.4000111E173 R179 V180E173-I177 WeakPolarHBondContact O-CG1 3.27Å; E173-I177 PolarHBondContact O-N 2.8Å; E173-I177 VanDerWaalsContact O-N 3.07Å; I177-R179 PolarHBondContact O-N 3.31Å; I177-V180 PolarHBondContact O-N 3.44Å
178A57.9Low63.1Low79 Ų79127.1 Ų127.165%0.65368%0.675SS**Hα-helixtrans-66.7-18.7178.200000113.8E174E174-A178 WeakPolarHBondContact O-CB 3.27Å; E174-A178 PolarHBondContact O-N 3.04Å
179R58.4Low61.8Low204 Ų204130.6 Ų130.677%0.7769%0.687SS**THydrogen-bonded Turntrans-89.7-10.7176.2-74.6177.6-172.4-153.48.2113.9E175 E176 I177E175-R179 VanDerWaalsContact O-CG 3.29Å; E175-R179 WeakPolarHBondContact O-CG 3.44Å; E175-R179 PolarHBondContact O-N 3.13Å; E176-R179 PolarHBondContact O-N 2.96Å; I177-R179 PolarHBondContact O-N 3.31Å
180V57.7Low60.4Low110 Ų110134.5 Ų134.567%0.66770%0.7SS**THydrogen-bonded Turntrans-99.5-12.4-175.4173.70000112.7E176 I177E176-V180 WeakPolarHBondContact O-CG2 3.32Å; E176-V180 PolarHBondContact O-N 3.36Å; I177-V180 PolarHBondContact O-N 3.44Å
181E49.1Very low59Low168 Ų168137.1 Ų137.179%0.78571%0.712SS**  trans-75122168.9-69.3-163.3153.800110.5
182P51.9Low57.6Low200 Ų200140.3 Ų140.3100%1.29972%0.716SS**  trans-77.50-162.731.6-37.3000115.7

Retrieved 182 of 182 residues in 452.7 ms (Link to these results)